Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2695
- Core Entity Id
- 6184
- Source Entity Count
- 1
- Preferred Name
- Methyl thiirane
- Name En
- Pubchem Id
- 14072
- Smiles Canonical
- CC1CS1
- Molecular Formula
- C3H6S
- Molecular Weight
- 74.1480
- Inchikey
- MBNVSWHUJDDZRH-UHFFFAOYSA-N
- Inchi
- InChI=1S/C3H6S/c1-3-2-4-3/h3H,2H2,1H3
- Isomeric Smiles
- CC1CS1
- Cas Id
- 1072-43-1
- Ob Score
- 15.0370
- Mol Logp
- 1.1217
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.3880
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(2S)-2-Methylthiirane
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(2S)-2-Methylthiirane
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(2S)-2-methylthiirane
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2S)-2-methylthiirane
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(2s)-2-methylthiirane
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2s)-2-methylthiirane
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Methyl thiirane
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Methyl thiirane
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
methyl thiirane
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(S)-Methylthiirane
Role
alias
Source
HERB_v2
Preferred
No
Name
(S)-Methylthiirane
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,2-Epithiopropane
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,2-Epithiopropane
Role
alias
Source
HERB_v2
Preferred
No
Name
1072-43-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
1072-43-1
Role
alias
Source
HERB_v2
Preferred
No
Name
16606-54-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
16606-54-5
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Methylthiacyclopropane
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Methylthiacyclopropane
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Methylthiirane
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Methylthiirane
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID801319018
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID801319018
Role
alias
Source
itcmdb_public
Preferred
No
Name
Methylthiirane
Role
alias
Source
itcmdb_public
Preferred
No
Name
Methylthiirane
Role
alias
Source
HERB_v2
Preferred
No
Name
Propene sulfide
Role
alias
Source
itcmdb_public
Preferred
No
Name
Propene sulfide
Role
alias
Source
HERB_v2
Preferred
No
Name
Propylene episulfide
Role
alias
Source
itcmdb_public
Preferred
No
Name
Propylene episulfide
Role
alias
Source
HERB_v2
Preferred
No
Name
Propylene sulfide
Role
alias
Source
itcmdb_public
Preferred
No
Name
Propylene sulfide
Role
alias
Source
HERB_v2
Preferred
No
Name
Propylene sulphide
Role
alias
Source
itcmdb_public
Preferred
No
Name
Propylene sulphide
Role
alias
Source
HERB_v2
Preferred
No
Name
Thiirane, 2-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Thiirane, 2-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Thiirane, methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Thiirane, methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2S)-2-Methylthiirane(S)-Methylthiirane1,2-Epithiopropane1072-43-116606-54-52-Methylthiacyclopropane2-MethylthiiraneDTXSID801319018MethylthiiranePropene sulfidePropylene episulfidePropylene sulfidePropylene sulphideThiirane, 2-methyl-Thiirane, methyl-
Cross References
Trusted external identifiers retained for this final record.
Cas
1072-43-1
Herb
HBIN006603HBIN035437
Tcmid
32571
Tcmsp
MOL010970
Sym Map
SMIT11931
Tcm Id
2699
Pub Chem
1407221766881
Tcmbank
TCMBANKIN012847TCMBANKIN023198
Etcm Ingredient
(2S)-2-methylthiirane
Itcmdb Generated
ITX-INGREDIENT-352A82E1D3F1
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C3H6S/c1-3-2-4-3/h3H,2H2,1H3InChI=1S/C3H6S/c1-3-2-4-3/h3H,2H2,1H3/t3-/m0/s1
Mol Wt
74.148
Cas Id
1072-43-1
Smiles
CC1CS1
Mol Log P
1.1217
Version
v1,v2
In Ch Ikey
MBNVSWHUJDDZRH-UHFFFAOYSA-NMBNVSWHUJDDZRH-VKHMYHEASA-N
Ob Score
15.03695815.0369584615.037
Suppress
0
Num Hdonors
0
Drug Likeness
0.388
Num Hacceptors
1
Isomeric Smiles
CC1CS1C[C@H]1CS1
Molecule Weight
74.16
Canonical Smiles
CC1CS1
Herb Alias Names
(S)-MethylthiiraneMethylthiirane16606-54-5DTXSID801319018
Molecular Weight
74.020
Molecular Weight
74.14
Molecular Formula
C3H6S
Molecular Formula
C3H6S
Molecular Formula
C3H6S
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.073
Quantitative Estimate Of Drug Likeness（Qed）
0.388