4-aminobutane-2-thiol;hydrochloride

C4H12ClNS — CID 86083804

IUPAC4-aminobutane-2-thiol;hydrochloride
SMILESCC(S)CCN.Cl
InChIInChI=1S/C4H11NS.ClH/c1-4(6)2-3-5;/h4,6H,2-3,5H2,1H3;1H
InChIKeyLMERDCNACHETAT-UHFFFAOYSA-N
MW141.67 g/mol
LogP1.08
Rot. Bonds2

About 4-aminobutane-2-thiol;hydrochloride

4-aminobutane-2-thiol;hydrochloride (PubChem CID 86083804) has the molecular formula C4H12ClNS and a molecular weight of 141.67 g/mol. Its IUPAC name is 4-aminobutane-2-thiol;hydrochloride.

Molecular Properties

Compound Name4-aminobutane-2-thiol;hydrochloride
PubChem CID86083804
Molecular FormulaC4H12ClNS
Molecular Weight141.67 g/mol
Exact Mass141.04
IUPAC Name4-aminobutane-2-thiol;hydrochloride
SMILESCC(S)CCN.Cl
InChIInChI=1S/C4H11NS.ClH/c1-4(6)2-3-5;/h4,6H,2-3,5H2,1H3;1H
InChIKeyLMERDCNACHETAT-UHFFFAOYSA-N
XLogP1.08
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.67
LogP ≤ 51.08
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 4-aminobutane-2-thiol;hydrochloride?
The IUPAC name of 4-aminobutane-2-thiol;hydrochloride (CID 86083804) is 4-aminobutane-2-thiol;hydrochloride.
What is the SMILES notation for 4-aminobutane-2-thiol;hydrochloride?
The canonical SMILES for 4-aminobutane-2-thiol;hydrochloride is CC(S)CCN.Cl.
What is the InChIKey of 4-aminobutane-2-thiol;hydrochloride?
The InChIKey is LMERDCNACHETAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NS.ClH/c1-4(6)2-3-5;/h4,6H,2-3,5H2,1H3;1H.
What are the key properties of 4-aminobutane-2-thiol;hydrochloride?
4-aminobutane-2-thiol;hydrochloride has a molecular weight of 141.67 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobutane-2-thiol;hydrochloride is sourced from PubChem (CID 86083804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).