5-methyl-2-sulfanylidene-1H-pyridine-3-thiolate

C6H6NS2- — CID 101385254

IUPAC5-methyl-2-sulfanylidene-1H-pyridine-3-thiolate
SMILESCc1c[nH]c(=S)c([S-])c1
InChIInChI=1S/C6H7NS2/c1-4-2-5(8)6(9)7-3-4/h2-3,8H,1H3,(H,7,9)/p-1
InChIKeyBOVSLJOOUYXWGZ-UHFFFAOYSA-M
MW156.25 g/mol
LogP1.96
Rot. Bonds

About 5-methyl-2-sulfanylidene-1H-pyridine-3-thiolate

5-methyl-2-sulfanylidene-1H-pyridine-3-thiolate (PubChem CID 101385254) has the molecular formula C6H6NS2- and a molecular weight of 156.25 g/mol. Its IUPAC name is 5-methyl-2-sulfanylidene-1H-pyridine-3-thiolate.

Molecular Properties

Compound Name5-methyl-2-sulfanylidene-1H-pyridine-3-thiolate
PubChem CID101385254
Molecular FormulaC6H6NS2-
Molecular Weight156.25 g/mol
Exact Mass155.99
IUPAC Name5-methyl-2-sulfanylidene-1H-pyridine-3-thiolate
SMILESCc1c[nH]c(=S)c([S-])c1
InChIInChI=1S/C6H7NS2/c1-4-2-5(8)6(9)7-3-4/h2-3,8H,1H3,(H,7,9)/p-1
InChIKeyBOVSLJOOUYXWGZ-UHFFFAOYSA-M
XLogP1.96
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

3-methyl-5-(trifluoromethyl)-1H-pyridine-2-thione
CID 97033267
4-methyl-2-(trifluoromethyl)-1H-pyrrole
CID 55297444
5-amino-3-methyl-1H-pyridine-2-thione
CID 62476746
5-bromo-3,4-dimethyl-1H-pyridine-2-thione
CID 130012652
2,4-dimethyl-1H-pyrrole;1H-pyrrole
CID 158090564
1,1,1-trifluoro-3-(4-methyl-1H-pyrrol-2-yl)propan-2-one
CID 139702299
6-methyl-2H-isoquinoline-1-thione
CID 89072910
3-(1,1-difluoroethyl)-5-methyl-1H-pyridin-2-one
CID 123878957
ethane;4-methyl-1,2-dihydropyrazole-3-thione
CID 143769274
5-tert-butylsulfanyl-3-methyl-1H-pyridine-2-thione
CID 102544997
ethane;6-methyl-2H-isoquinoline-1-thione
CID 144945001
5-[(Z)-hydroxyiminomethyl]-3-methyl-1H-pyridine-2-thione
CID 137138262

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-sulfanylidene-1H-pyridine-3-thiolate?
The IUPAC name of 5-methyl-2-sulfanylidene-1H-pyridine-3-thiolate (CID 101385254) is 5-methyl-2-sulfanylidene-1H-pyridine-3-thiolate.
What is the SMILES notation for 5-methyl-2-sulfanylidene-1H-pyridine-3-thiolate?
The canonical SMILES for 5-methyl-2-sulfanylidene-1H-pyridine-3-thiolate is Cc1c[nH]c(=S)c([S-])c1.
What is the InChIKey of 5-methyl-2-sulfanylidene-1H-pyridine-3-thiolate?
The InChIKey is BOVSLJOOUYXWGZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H7NS2/c1-4-2-5(8)6(9)7-3-4/h2-3,8H,1H3,(H,7,9)/p-1.
What are the key properties of 5-methyl-2-sulfanylidene-1H-pyridine-3-thiolate?
5-methyl-2-sulfanylidene-1H-pyridine-3-thiolate has a molecular weight of 156.25 g/mol, XLogP of 1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-sulfanylidene-1H-pyridine-3-thiolate is sourced from PubChem (CID 101385254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).