2-methylpropane-1-thiol

C4H10S — CID 10558

IUPAC2-methylpropane-1-thiol
SMILESCC(C)CS
InChIInChI=1S/C4H10S/c1-4(2)3-5/h4-5H,3H2,1-2H3
InChIKeyBDFAOUQQXJIZDG-UHFFFAOYSA-N
MW90.19 g/mol
LogP1.57
Rot. Bonds1

About 2-methylpropane-1-thiol

2-methylpropane-1-thiol (PubChem CID 10558) has the molecular formula C4H10S and a molecular weight of 90.19 g/mol. Its IUPAC name is 2-methylpropane-1-thiol.

Molecular Properties

Compound Name2-methylpropane-1-thiol
PubChem CID10558
Molecular FormulaC4H10S
Molecular Weight90.19 g/mol
Exact Mass90.05
IUPAC Name2-methylpropane-1-thiol
SMILESCC(C)CS
InChIInChI=1S/C4H10S/c1-4(2)3-5/h4-5H,3H2,1-2H3
InChIKeyBDFAOUQQXJIZDG-UHFFFAOYSA-N
XLogP1.57
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.19
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methylpropane-1-thiol 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-methylpropane-1-thiol?
The IUPAC name of 2-methylpropane-1-thiol (CID 10558) is 2-methylpropane-1-thiol.
What is the SMILES notation for 2-methylpropane-1-thiol?
The canonical SMILES for 2-methylpropane-1-thiol is CC(C)CS.
What is the InChIKey of 2-methylpropane-1-thiol?
The InChIKey is BDFAOUQQXJIZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10S/c1-4(2)3-5/h4-5H,3H2,1-2H3.
What are the key properties of 2-methylpropane-1-thiol?
2-methylpropane-1-thiol has a molecular weight of 90.19 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane-1-thiol is sourced from PubChem (CID 10558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).