(Z)-2-amino-3-methylbut-1-ene-1-thiol

C5H11NS — CID 88580233

IUPAC(Z)-2-amino-3-methylbut-1-ene-1-thiol
SMILESCC(C)/C(N)=C/S
InChIInChI=1S/C5H11NS/c1-4(2)5(6)3-7/h3-4,7H,6H2,1-2H3/b5-3-
InChIKeyCARMFEQPWLZFNE-HYXAFXHYSA-N
MW117.22 g/mol
LogP1.37
Rot. Bonds1

About (Z)-2-amino-3-methylbut-1-ene-1-thiol

(Z)-2-amino-3-methylbut-1-ene-1-thiol (PubChem CID 88580233) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is (Z)-2-amino-3-methylbut-1-ene-1-thiol.

Molecular Properties

Compound Name(Z)-2-amino-3-methylbut-1-ene-1-thiol
PubChem CID88580233
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC Name(Z)-2-amino-3-methylbut-1-ene-1-thiol
SMILESCC(C)/C(N)=C/S
InChIInChI=1S/C5H11NS/c1-4(2)5(6)3-7/h3-4,7H,6H2,1-2H3/b5-3-
InChIKeyCARMFEQPWLZFNE-HYXAFXHYSA-N
XLogP1.37
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 51.37
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 (Z)-2-amino-3-methylbut-1-ene-1-thiol?
The IUPAC name of (Z)-2-amino-3-methylbut-1-ene-1-thiol (CID 88580233) is (Z)-2-amino-3-methylbut-1-ene-1-thiol.
What is the SMILES notation for (Z)-2-amino-3-methylbut-1-ene-1-thiol?
The canonical SMILES for (Z)-2-amino-3-methylbut-1-ene-1-thiol is CC(C)/C(N)=C/S.
What is the InChIKey of (Z)-2-amino-3-methylbut-1-ene-1-thiol?
The InChIKey is CARMFEQPWLZFNE-HYXAFXHYSA-N. The full InChI is InChI=1S/C5H11NS/c1-4(2)5(6)3-7/h3-4,7H,6H2,1-2H3/b5-3-.
What are the key properties of (Z)-2-amino-3-methylbut-1-ene-1-thiol?
(Z)-2-amino-3-methylbut-1-ene-1-thiol has a molecular weight of 117.22 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-3-methylbut-1-ene-1-thiol is sourced from PubChem (CID 88580233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).