4-aminobutane-1-thiol

C4H11NS — CID 30486

IUPAC4-aminobutane-1-thiol
SMILESNCCCCS
InChIInChI=1S/C4H11NS/c5-3-1-2-4-6/h6H,1-5H2
InChIKeyRIRRYXTXJAZPMP-UHFFFAOYSA-N
MW105.21 g/mol
LogP0.66
Rot. Bonds3

About 4-aminobutane-1-thiol

4-aminobutane-1-thiol (PubChem CID 30486) has the molecular formula C4H11NS and a molecular weight of 105.21 g/mol. Its IUPAC name is 4-aminobutane-1-thiol.

Molecular Properties

Compound Name4-aminobutane-1-thiol
PubChem CID30486
Molecular FormulaC4H11NS
Molecular Weight105.21 g/mol
Exact Mass105.06
IUPAC Name4-aminobutane-1-thiol
SMILESNCCCCS
InChIInChI=1S/C4H11NS/c5-3-1-2-4-6/h6H,1-5H2
InChIKeyRIRRYXTXJAZPMP-UHFFFAOYSA-N
XLogP0.66
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.21
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Propanethiol, 3-amino-
CID 97436
Cysteaminium
CID 3799953
(3-Mercaptopropyl)ammonium chloride
CID 197870
Propamine
CID 11717
(S)-2-Amino-pentane-1,5-dithiol
CID 168101
5-Aminopentane-1-thiol
CID 19046419
2-Aminoethylsulfanium
CID 5151983
6-Aminohexane-1-thiol
CID 12841471
1-Amino-2-pentanethiol
CID 152066
1-Amino-2-butanethiol
CID 165886
5-Aminopentane-1-thiol hydrochloride
CID 22251205
4-Aminobutane-2-thiol hydrochloride
CID 86083804

Frequently Asked Questions

What is the IUPAC name of 4-aminobutane-1-thiol?
The IUPAC name of 4-aminobutane-1-thiol (CID 30486) is 4-aminobutane-1-thiol.
What is the SMILES notation for 4-aminobutane-1-thiol?
The canonical SMILES for 4-aminobutane-1-thiol is NCCCCS.
What is the InChIKey of 4-aminobutane-1-thiol?
The InChIKey is RIRRYXTXJAZPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NS/c5-3-1-2-4-6/h6H,1-5H2.
What are the key properties of 4-aminobutane-1-thiol?
4-aminobutane-1-thiol has a molecular weight of 105.21 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobutane-1-thiol is sourced from PubChem (CID 30486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).