2-thionitrosoprop-1-ene

C3H5NS — CID 173382355

IUPAC2-thionitrosoprop-1-ene
SMILESC=C(C)N=S
InChIInChI=1S/C3H5NS/c1-3(2)4-5/h1H2,2H3
InChIKeyFKYOFTZQTNWKIN-UHFFFAOYSA-N
MW87.15 g/mol
LogP1.25
Rot. Bonds1

About 2-thionitrosoprop-1-ene

2-thionitrosoprop-1-ene (PubChem CID 173382355) has the molecular formula C3H5NS and a molecular weight of 87.15 g/mol. Its IUPAC name is 2-thionitrosoprop-1-ene.

Molecular Properties

Compound Name2-thionitrosoprop-1-ene
PubChem CID173382355
Molecular FormulaC3H5NS
Molecular Weight87.15 g/mol
Exact Mass87.01
IUPAC Name2-thionitrosoprop-1-ene
SMILESC=C(C)N=S
InChIInChI=1S/C3H5NS/c1-3(2)4-5/h1H2,2H3
InChIKeyFKYOFTZQTNWKIN-UHFFFAOYSA-N
XLogP1.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.15
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-thionitrosoprop-1-ene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-thionitrosoprop-1-ene?
The IUPAC name of 2-thionitrosoprop-1-ene (CID 173382355) is 2-thionitrosoprop-1-ene.
What is the SMILES notation for 2-thionitrosoprop-1-ene?
The canonical SMILES for 2-thionitrosoprop-1-ene is C=C(C)N=S.
What is the InChIKey of 2-thionitrosoprop-1-ene?
The InChIKey is FKYOFTZQTNWKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NS/c1-3(2)4-5/h1H2,2H3.
What are the key properties of 2-thionitrosoprop-1-ene?
2-thionitrosoprop-1-ene has a molecular weight of 87.15 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thionitrosoprop-1-ene is sourced from PubChem (CID 173382355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).