2-amino-4-methylsulfanylbutane-1-thiol

C5H13NS2 — CID 19366756

IUPAC2-amino-4-methylsulfanylbutane-1-thiol
SMILESCSCCC(N)CS
InChIInChI=1S/C5H13NS2/c1-8-3-2-5(6)4-7/h5,7H,2-4,6H2,1H3
InChIKeyNSPBTQHSHXESOT-UHFFFAOYSA-N
MW151.30 g/mol
LogP1.00
Rot. Bonds4

About 2-amino-4-methylsulfanylbutane-1-thiol

2-amino-4-methylsulfanylbutane-1-thiol (PubChem CID 19366756) has the molecular formula C5H13NS2 and a molecular weight of 151.30 g/mol. Its IUPAC name is 2-amino-4-methylsulfanylbutane-1-thiol.

Molecular Properties

Compound Name2-amino-4-methylsulfanylbutane-1-thiol
PubChem CID19366756
Molecular FormulaC5H13NS2
Molecular Weight151.30 g/mol
Exact Mass151.05
IUPAC Name2-amino-4-methylsulfanylbutane-1-thiol
SMILESCSCCC(N)CS
InChIInChI=1S/C5H13NS2/c1-8-3-2-5(6)4-7/h5,7H,2-4,6H2,1H3
InChIKeyNSPBTQHSHXESOT-UHFFFAOYSA-N
XLogP1.00
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.30
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-amino-4-methylsulfanylbutane-1-thiol?
The IUPAC name of 2-amino-4-methylsulfanylbutane-1-thiol (CID 19366756) is 2-amino-4-methylsulfanylbutane-1-thiol.
What is the SMILES notation for 2-amino-4-methylsulfanylbutane-1-thiol?
The canonical SMILES for 2-amino-4-methylsulfanylbutane-1-thiol is CSCCC(N)CS.
What is the InChIKey of 2-amino-4-methylsulfanylbutane-1-thiol?
The InChIKey is NSPBTQHSHXESOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NS2/c1-8-3-2-5(6)4-7/h5,7H,2-4,6H2,1H3.
What are the key properties of 2-amino-4-methylsulfanylbutane-1-thiol?
2-amino-4-methylsulfanylbutane-1-thiol has a molecular weight of 151.30 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylsulfanylbutane-1-thiol is sourced from PubChem (CID 19366756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).