ethane;5-methylpyridine-3-thiol

C8H13NS — CID 144877949

IUPACethane;5-methylpyridine-3-thiol
SMILESCC.Cc1cncc(S)c1
InChIInChI=1S/C6H7NS.C2H6/c1-5-2-6(8)4-7-3-5;1-2/h2-4,8H,1H3;1-2H3
InChIKeyDYKHPCCAFOJUIP-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.70
Rot. Bonds

About ethane;5-methylpyridine-3-thiol

ethane;5-methylpyridine-3-thiol (PubChem CID 144877949) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is ethane;5-methylpyridine-3-thiol.

Molecular Properties

Compound Nameethane;5-methylpyridine-3-thiol
PubChem CID144877949
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Nameethane;5-methylpyridine-3-thiol
SMILESCC.Cc1cncc(S)c1
InChIInChI=1S/C6H7NS.C2H6/c1-5-2-6(8)4-7-3-5;1-2/h2-4,8H,1H3;1-2H3
InChIKeyDYKHPCCAFOJUIP-UHFFFAOYSA-N
XLogP2.70
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze ethane;5-methylpyridine-3-thiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 174996178
CID 174996178
ethane;3-fluoro-5-methylpyridine
CID 142820910
ethane;5-(5-methyl-2-pyridinyl)pyridine-3-thiol
CID 142403744
(5-methyl-3-pyridinyl)-sulfanylborinic acid
CID 87820110
ethane;S-(5-methyl-3-pyridinyl)thiohydroxylamine
CID 166471410
ethane;5-methylpyrimidine
CID 91482227
3-methyl-5-(trifluoromethyl)pyridine
CID 143745835
3,5-dimethylpyridine;1-methyl-4-[(4-methylphenyl)methyl]benzene
CID 91341403
N,N-diethyl-5-methylpyridin-3-amine
CID 89230309
5-[fluoro(phosphanyl)methyl]pyridine-3-thiol
CID 170003378
ethane;N-(5-methyl-3-pyridinyl)methanesulfonamide
CID 143921222
1-(5-sulfanyl-3-pyridinyl)propan-1-one
CID 143328134

Frequently Asked Questions

What is the IUPAC name of ethane;5-methylpyridine-3-thiol?
The IUPAC name of ethane;5-methylpyridine-3-thiol (CID 144877949) is ethane;5-methylpyridine-3-thiol.
What is the SMILES notation for ethane;5-methylpyridine-3-thiol?
The canonical SMILES for ethane;5-methylpyridine-3-thiol is CC.Cc1cncc(S)c1.
What is the InChIKey of ethane;5-methylpyridine-3-thiol?
The InChIKey is DYKHPCCAFOJUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NS.C2H6/c1-5-2-6(8)4-7-3-5;1-2/h2-4,8H,1H3;1-2H3.
What are the key properties of ethane;5-methylpyridine-3-thiol?
ethane;5-methylpyridine-3-thiol has a molecular weight of 155.27 g/mol, XLogP of 2.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methylpyridine-3-thiol is sourced from PubChem (CID 144877949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).