Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 5Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 10289
- Core Entity Id
- 14596
- Source Entity Count
- 1
- Preferred Name
- Dithiolane
- Name En
- Pubchem Id
- 20970
- Smiles Canonical
- C1CSCS1
- Molecular Formula
- C3H6S2
- Molecular Weight
- 106.2150
- Inchikey
- IMLSAISZLJGWPP-UHFFFAOYSA-N
- Inchi
- InChI=1S/C3H6S2/c1-2-5-3-4-1/h1-3H2
- Isomeric Smiles
- C1CSCS1
- Cas Id
- 557-22-2
- Ob Score
- 22.8549
- Mol Logp
- 1.4239
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4580
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Dithiolane
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Dithiolane
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Dithiolane
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1,3-DITHIOLANE
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,3-DITHIOLANE
Role
alias
Source
HERB_v2
Preferred
No
Name
1,3-Dithiacyclopentane
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,3-Dithiacyclopentane
Role
alias
Source
HERB_v2
Preferred
No
Name
341G58G6YL
Role
alias
Source
HERB_v2
Preferred
No
Name
341G58G6YL
Role
alias
Source
itcmdb_public
Preferred
No
Name
4829-04-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
4829-04-3
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:38079
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:38079
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID90197473
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID90197473
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC 193357
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC-193357
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-341G58G6YL
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-341G58G6YL
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,3-DITHIOLANE1,3-Dithiacyclopentane341G58G6YL4829-04-3CHEBI:38079DTXSID90197473NSC 193357NSC-193357UNII-341G58G6YL
Cross References
Trusted external identifiers retained for this final record.
Cas
557-22-2
Herb
HBIN024276
Npass
NPC66418
Tcmid
33624
Tcmsp
MOL008348MOL008360
Sym Map
SMIT09655
Pub Chem
20970
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C3H6S2/c1-2-5-3-4-1/h1-3H2
Mol Wt
106.215
Cas Id
557-22-2
Mol Log P
1.4239
Version
v1,v2
In Ch Ikey
IMLSAISZLJGWPP-UHFFFAOYSA-N
Ob Score
22.854935522.855
Suppress
0
Num Hdonors
0
Drug Likeness
0.458
Num Hacceptors
2
Isomeric Smiles
C1CSCS1
Molecule Weight
106.23
Canonical Smiles
C1CSCS1
Herb Alias Names
1,3-DITHIOLANE4829-04-31,3-Dithiacyclopentane341G58G6YLNSC 193357NSC-193357UNII-341G58G6YLCHEBI:38079DTXSID90197473
Molecular Formula
C3H6S2
Num Rotatable Bonds
0