(Z)-4-aminobut-2-ene-2-thiol

C4H9NS — CID 143658490

IUPAC(Z)-4-aminobut-2-ene-2-thiol
SMILESC/C(S)=C/CN
InChIInChI=1S/C4H9NS/c1-4(6)2-3-5/h2,6H,3,5H2,1H3/b4-2-
InChIKeyZDSYTAJFXSSIOT-RQOWECAXSA-N
MW103.19 g/mol
LogP0.78
Rot. Bonds1

About (Z)-4-aminobut-2-ene-2-thiol

(Z)-4-aminobut-2-ene-2-thiol (PubChem CID 143658490) has the molecular formula C4H9NS and a molecular weight of 103.19 g/mol. Its IUPAC name is (Z)-4-aminobut-2-ene-2-thiol.

Molecular Properties

Compound Name(Z)-4-aminobut-2-ene-2-thiol
PubChem CID143658490
Molecular FormulaC4H9NS
Molecular Weight103.19 g/mol
Exact Mass103.05
IUPAC Name(Z)-4-aminobut-2-ene-2-thiol
SMILESC/C(S)=C/CN
InChIInChI=1S/C4H9NS/c1-4(6)2-3-5/h2,6H,3,5H2,1H3/b4-2-
InChIKeyZDSYTAJFXSSIOT-RQOWECAXSA-N
XLogP0.78
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.19
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-aminobut-2-en-2-ol
CID 163890736
(1Z,3Z)-3-methylpenta-1,3-diene-1,5-diamine
CID 142089102
(1Z)-3-methylpenta-1,3-diene-1,5-diamine
CID 137396270
3-methylpent-2-en-1-amine
CID 76997051
ethane;(E)-3-methylpent-2-en-1-amine
CID 143325002
3,5-diaminopent-3-en-2-one
CID 173435914
3-ethylpent-2-en-1-amine
CID 63969670
but-1-ene-1,1-dithiol
CID 87922875
(2Z,4E)-5-aminopenta-2,4-diene-2-thiol
CID 89363639
4-methylpent-2-ene-1,3-diamine
CID 175534446
(Z)-3-pyridin-4-ylbut-2-en-1-amine
CID 63970722
(2Z)-3,7-dimethylocta-2,6-dien-1-amine
CID 5362850

Frequently Asked Questions

What is the IUPAC name of (Z)-4-aminobut-2-ene-2-thiol?
The IUPAC name of (Z)-4-aminobut-2-ene-2-thiol (CID 143658490) is (Z)-4-aminobut-2-ene-2-thiol.
What is the SMILES notation for (Z)-4-aminobut-2-ene-2-thiol?
The canonical SMILES for (Z)-4-aminobut-2-ene-2-thiol is C/C(S)=C/CN.
What is the InChIKey of (Z)-4-aminobut-2-ene-2-thiol?
The InChIKey is ZDSYTAJFXSSIOT-RQOWECAXSA-N. The full InChI is InChI=1S/C4H9NS/c1-4(6)2-3-5/h2,6H,3,5H2,1H3/b4-2-.
What are the key properties of (Z)-4-aminobut-2-ene-2-thiol?
(Z)-4-aminobut-2-ene-2-thiol has a molecular weight of 103.19 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-aminobut-2-ene-2-thiol is sourced from PubChem (CID 143658490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).