2-amino-3-methylbutane-1-thiol;hydrochloride

C5H14ClNS — CID 521049

IUPAC2-amino-3-methylbutane-1-thiol;hydrochloride
SMILESCC(C)C(N)CS.Cl
InChIInChI=1S/C5H13NS.ClH/c1-4(2)5(6)3-7;/h4-5,7H,3,6H2,1-2H3;1H
InChIKeyBACDLVHRIVSAMI-UHFFFAOYSA-N
MW155.69 g/mol
LogP1.32
Rot. Bonds2

About 2-amino-3-methylbutane-1-thiol;hydrochloride

2-amino-3-methylbutane-1-thiol;hydrochloride (PubChem CID 521049) has the molecular formula C5H14ClNS and a molecular weight of 155.69 g/mol. Its IUPAC name is 2-amino-3-methylbutane-1-thiol;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methylbutane-1-thiol;hydrochloride
PubChem CID521049
Molecular FormulaC5H14ClNS
Molecular Weight155.69 g/mol
Exact Mass155.05
IUPAC Name2-amino-3-methylbutane-1-thiol;hydrochloride
SMILESCC(C)C(N)CS.Cl
InChIInChI=1S/C5H13NS.ClH/c1-4(2)5(6)3-7;/h4-5,7H,3,6H2,1-2H3;1H
InChIKeyBACDLVHRIVSAMI-UHFFFAOYSA-N
XLogP1.32
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.69
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-amino-3-methylbutane-1-thiol;hydrochloride 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-amino-3-methylbutane-1-thiol;hydrochloride?
The IUPAC name of 2-amino-3-methylbutane-1-thiol;hydrochloride (CID 521049) is 2-amino-3-methylbutane-1-thiol;hydrochloride.
What is the SMILES notation for 2-amino-3-methylbutane-1-thiol;hydrochloride?
The canonical SMILES for 2-amino-3-methylbutane-1-thiol;hydrochloride is CC(C)C(N)CS.Cl.
What is the InChIKey of 2-amino-3-methylbutane-1-thiol;hydrochloride?
The InChIKey is BACDLVHRIVSAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NS.ClH/c1-4(2)5(6)3-7;/h4-5,7H,3,6H2,1-2H3;1H.
What are the key properties of 2-amino-3-methylbutane-1-thiol;hydrochloride?
2-amino-3-methylbutane-1-thiol;hydrochloride has a molecular weight of 155.69 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methylbutane-1-thiol;hydrochloride is sourced from PubChem (CID 521049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).