1-aminopropane-2-thiol

C3H9NS — CID 11717

IUPAC1-aminopropane-2-thiol
SMILESCC(S)CN
InChIInChI=1S/C3H9NS/c1-3(5)2-4/h3,5H,2,4H2,1H3
InChIKeyMHJPNBAEWSRKBK-UHFFFAOYSA-N
MW91.18 g/mol
LogP0.26
Rot. Bonds1

About 1-aminopropane-2-thiol

1-aminopropane-2-thiol (PubChem CID 11717) has the molecular formula C3H9NS and a molecular weight of 91.18 g/mol. Its IUPAC name is 1-aminopropane-2-thiol.

Molecular Properties

Compound Name1-aminopropane-2-thiol
PubChem CID11717
Molecular FormulaC3H9NS
Molecular Weight91.18 g/mol
Exact Mass91.05
IUPAC Name1-aminopropane-2-thiol
SMILESCC(S)CN
InChIInChI=1S/C3H9NS/c1-3(5)2-4/h3,5H,2,4H2,1H3
InChIKeyMHJPNBAEWSRKBK-UHFFFAOYSA-N
XLogP0.26
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.18
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-aminopropane-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

Cysteamine
CID 6058
Cysteamine Hydrochloride
CID 9082
1-Propanethiol, 3-amino-
CID 97436
Cysteaminium
CID 3799953
(S)-2-Amino-propane-1-thiol
CID 18609630
2-Propanethiol, 1-amino-, hydrochloride
CID 145727
(3-Mercaptopropyl)ammonium chloride
CID 197870
1-Butanethiol, 4-amino-
CID 30486
2-Aminoethylsulfanium
CID 5151983
1-Propanethiol, 2-amino-
CID 165845
1-Propanethiol, 2-amino-, hydrochloride
CID 199407
Ethanethiol, 2-amino-, hydrobromide
CID 206130

Frequently Asked Questions

What is the IUPAC name of 1-aminopropane-2-thiol?
The IUPAC name of 1-aminopropane-2-thiol (CID 11717) is 1-aminopropane-2-thiol.
What is the SMILES notation for 1-aminopropane-2-thiol?
The canonical SMILES for 1-aminopropane-2-thiol is CC(S)CN.
What is the InChIKey of 1-aminopropane-2-thiol?
The InChIKey is MHJPNBAEWSRKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NS/c1-3(5)2-4/h3,5H,2,4H2,1H3.
What are the key properties of 1-aminopropane-2-thiol?
1-aminopropane-2-thiol has a molecular weight of 91.18 g/mol, XLogP of 0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopropane-2-thiol is sourced from PubChem (CID 11717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).