1-(methylamino)propane-2-thiol

C4H11NS — CID 13460853

IUPAC1-(methylamino)propane-2-thiol
SMILESCNCC(C)S
InChIInChI=1S/C4H11NS/c1-4(6)3-5-2/h4-6H,3H2,1-2H3
InChIKeyDRTIQABOROHXTM-UHFFFAOYSA-N
MW105.21 g/mol
LogP0.52
Rot. Bonds2

About 1-(methylamino)propane-2-thiol

1-(methylamino)propane-2-thiol (PubChem CID 13460853) has the molecular formula C4H11NS and a molecular weight of 105.21 g/mol. Its IUPAC name is 1-(methylamino)propane-2-thiol.

Molecular Properties

Compound Name1-(methylamino)propane-2-thiol
PubChem CID13460853
Molecular FormulaC4H11NS
Molecular Weight105.21 g/mol
Exact Mass105.06
IUPAC Name1-(methylamino)propane-2-thiol
SMILESCNCC(C)S
InChIInChI=1S/C4H11NS/c1-4(6)3-5-2/h4-6H,3H2,1-2H3
InChIKeyDRTIQABOROHXTM-UHFFFAOYSA-N
XLogP0.52
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.21
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)propane-2-thiol?
The IUPAC name of 1-(methylamino)propane-2-thiol (CID 13460853) is 1-(methylamino)propane-2-thiol.
What is the SMILES notation for 1-(methylamino)propane-2-thiol?
The canonical SMILES for 1-(methylamino)propane-2-thiol is CNCC(C)S.
What is the InChIKey of 1-(methylamino)propane-2-thiol?
The InChIKey is DRTIQABOROHXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NS/c1-4(6)3-5-2/h4-6H,3H2,1-2H3.
What are the key properties of 1-(methylamino)propane-2-thiol?
1-(methylamino)propane-2-thiol has a molecular weight of 105.21 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)propane-2-thiol is sourced from PubChem (CID 13460853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).