2-methylthian-3-amine

C6H13NS — CID 15084370

IUPAC2-methylthian-3-amine
SMILESCC1SCCCC1N
InChIInChI=1S/C6H13NS/c1-5-6(7)3-2-4-8-5/h5-6H,2-4,7H2,1H3
InChIKeyNUBRNGDJEVPKTA-UHFFFAOYSA-N
MW131.24 g/mol
LogP1.23
Rot. Bonds

About 2-methylthian-3-amine

2-methylthian-3-amine (PubChem CID 15084370) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is 2-methylthian-3-amine.

Molecular Properties

Compound Name2-methylthian-3-amine
PubChem CID15084370
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name2-methylthian-3-amine
SMILESCC1SCCCC1N
InChIInChI=1S/C6H13NS/c1-5-6(7)3-2-4-8-5/h5-6H,2-4,7H2,1H3
InChIKeyNUBRNGDJEVPKTA-UHFFFAOYSA-N
XLogP1.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methylthian-3-amine 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-methylthian-3-amine?
The IUPAC name of 2-methylthian-3-amine (CID 15084370) is 2-methylthian-3-amine.
What is the SMILES notation for 2-methylthian-3-amine?
The canonical SMILES for 2-methylthian-3-amine is CC1SCCCC1N.
What is the InChIKey of 2-methylthian-3-amine?
The InChIKey is NUBRNGDJEVPKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS/c1-5-6(7)3-2-4-8-5/h5-6H,2-4,7H2,1H3.
What are the key properties of 2-methylthian-3-amine?
2-methylthian-3-amine has a molecular weight of 131.24 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylthian-3-amine is sourced from PubChem (CID 15084370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).