2,3-dihydropyridine-2-thiol

C5H7NS — CID 91440046

IUPAC2,3-dihydropyridine-2-thiol
SMILESSC1CC=CC=N1
InChIInChI=1S/C5H7NS/c7-5-3-1-2-4-6-5/h1-2,4-5,7H,3H2
InChIKeyAXCIFDGVVMRKKP-UHFFFAOYSA-N
MW113.18 g/mol
LogP1.27
Rot. Bonds

About 2,3-dihydropyridine-2-thiol

2,3-dihydropyridine-2-thiol (PubChem CID 91440046) has the molecular formula C5H7NS and a molecular weight of 113.18 g/mol. Its IUPAC name is 2,3-dihydropyridine-2-thiol.

Molecular Properties

Compound Name2,3-dihydropyridine-2-thiol
PubChem CID91440046
Molecular FormulaC5H7NS
Molecular Weight113.18 g/mol
Exact Mass113.03
IUPAC Name2,3-dihydropyridine-2-thiol
SMILESSC1CC=CC=N1
InChIInChI=1S/C5H7NS/c7-5-3-1-2-4-6-5/h1-2,4-5,7H,3H2
InChIKeyAXCIFDGVVMRKKP-UHFFFAOYSA-N
XLogP1.27
TPSA12.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.18
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,3-dihydropyridine-2-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

N-methyl-2,3-dihydropyridin-2-amine
CID 138478210
2-propan-2-yl-2,3-dihydropyridine
CID 91526421
2-(2,2-dimethylpropyl)-2,3-dihydropyridine
CID 123985988
1,3a,4,8a-tetrahydropyrrolo[2,3-b]azepine
CID 143712177
(2S)-N-ethyl-2,3-dihydropyridine-2-carboxamide
CID 70224369
N'-(2,3-dihydropyridin-2-yl)pent-2-yne-1,5-diamine
CID 91029909
cyclohexa-2,4-diene-1-thiol
CID 18734712
3-(2,3-dihydropyridin-2-yl)morpholine
CID 91173291
2-(5-methylthiophen-3-yl)-2,3-dihydropyridine
CID 143245934
3a,7a-dihydro-3H-pyrrolo[2,3-b]pyridine
CID 91307094
cyclodeca-3,8-diene-1,6-dithiol
CID 91096756
2-methyl-2,3-dihydropyridine-3-thiol
CID 126635855

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydropyridine-2-thiol?
The IUPAC name of 2,3-dihydropyridine-2-thiol (CID 91440046) is 2,3-dihydropyridine-2-thiol.
What is the SMILES notation for 2,3-dihydropyridine-2-thiol?
The canonical SMILES for 2,3-dihydropyridine-2-thiol is SC1CC=CC=N1.
What is the InChIKey of 2,3-dihydropyridine-2-thiol?
The InChIKey is AXCIFDGVVMRKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NS/c7-5-3-1-2-4-6-5/h1-2,4-5,7H,3H2.
What are the key properties of 2,3-dihydropyridine-2-thiol?
2,3-dihydropyridine-2-thiol has a molecular weight of 113.18 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydropyridine-2-thiol is sourced from PubChem (CID 91440046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).