[1,3]dithiolo[4,5-c]pyridine

C6H5NS2 — CID 18365381

IUPAC[1,3]dithiolo[4,5-c]pyridine
SMILESc1cc2c(cn1)SCS2
InChIInChI=1S/C6H5NS2/c1-2-7-3-6-5(1)8-4-9-6/h1-3H,4H2
InChIKeyRLBKCBHNPRPHMK-UHFFFAOYSA-N
MW155.25 g/mol
LogP2.24
Rot. Bonds

About [1,3]dithiolo[4,5-c]pyridine

[1,3]dithiolo[4,5-c]pyridine (PubChem CID 18365381) has the molecular formula C6H5NS2 and a molecular weight of 155.25 g/mol. Its IUPAC name is [1,3]dithiolo[4,5-c]pyridine.

Molecular Properties

Compound Name[1,3]dithiolo[4,5-c]pyridine
PubChem CID18365381
Molecular FormulaC6H5NS2
Molecular Weight155.25 g/mol
Exact Mass154.99
IUPAC Name[1,3]dithiolo[4,5-c]pyridine
SMILESc1cc2c(cn1)SCS2
InChIInChI=1S/C6H5NS2/c1-2-7-3-6-5(1)8-4-9-6/h1-3H,4H2
InChIKeyRLBKCBHNPRPHMK-UHFFFAOYSA-N
XLogP2.24
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Phenylthio)pyridine
CID 99184
3-Mercaptopyridine
CID 27691
Pyridine, 2-(methylthio)-
CID 29076
3-(Phenylsulfanyl)pyridine
CID 3813610
4-Methanesulfonylpyridine
CID 292487
Pyridine, 3-(methylthio)-
CID 140425
4-(Methylthio)pyridine
CID 140938
2-Pyridinyl thiocyanate
CID 75835
Pyridine, 4-(propylthio)-
CID 592710
3-Methanesulfonylpyridine
CID 416806
Pyridine, 4-(ethylthio)-
CID 83640
Methyl 4-pyridyl disulfide
CID 124540

Frequently Asked Questions

What is the IUPAC name of [1,3]dithiolo[4,5-c]pyridine?
The IUPAC name of [1,3]dithiolo[4,5-c]pyridine (CID 18365381) is [1,3]dithiolo[4,5-c]pyridine.
What is the SMILES notation for [1,3]dithiolo[4,5-c]pyridine?
The canonical SMILES for [1,3]dithiolo[4,5-c]pyridine is c1cc2c(cn1)SCS2.
What is the InChIKey of [1,3]dithiolo[4,5-c]pyridine?
The InChIKey is RLBKCBHNPRPHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NS2/c1-2-7-3-6-5(1)8-4-9-6/h1-3H,4H2.
What are the key properties of [1,3]dithiolo[4,5-c]pyridine?
[1,3]dithiolo[4,5-c]pyridine has a molecular weight of 155.25 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3]dithiolo[4,5-c]pyridine is sourced from PubChem (CID 18365381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).