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

C4H9NS — CID 88960158

IUPAC(Z)-3-amino-2-methylprop-1-ene-1-thiol
SMILESC/C(=C/S)CN
InChIInChI=1S/C4H9NS/c1-4(2-5)3-6/h3,6H,2,5H2,1H3/b4-3-
InChIKeyUQXWGWNOZSGWMM-ARJAWSKDSA-N
MW103.19 g/mol
LogP0.78
Rot. Bonds1

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

(Z)-3-amino-2-methylprop-1-ene-1-thiol (PubChem CID 88960158) has the molecular formula C4H9NS and a molecular weight of 103.19 g/mol. Its IUPAC name is (Z)-3-amino-2-methylprop-1-ene-1-thiol.

Molecular Properties

Compound Name(Z)-3-amino-2-methylprop-1-ene-1-thiol
PubChem CID88960158
Molecular FormulaC4H9NS
Molecular Weight103.19 g/mol
Exact Mass103.05
IUPAC Name(Z)-3-amino-2-methylprop-1-ene-1-thiol
SMILESC/C(=C/S)CN
InChIInChI=1S/C4H9NS/c1-4(2-5)3-6/h3,6H,2,5H2,1H3/b4-3-
InChIKeyUQXWGWNOZSGWMM-ARJAWSKDSA-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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Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-2-methylprop-1-ene-1-thiol?
The IUPAC name of (Z)-3-amino-2-methylprop-1-ene-1-thiol (CID 88960158) is (Z)-3-amino-2-methylprop-1-ene-1-thiol.
What is the SMILES notation for (Z)-3-amino-2-methylprop-1-ene-1-thiol?
The canonical SMILES for (Z)-3-amino-2-methylprop-1-ene-1-thiol is C/C(=C/S)CN.
What is the InChIKey of (Z)-3-amino-2-methylprop-1-ene-1-thiol?
The InChIKey is UQXWGWNOZSGWMM-ARJAWSKDSA-N. The full InChI is InChI=1S/C4H9NS/c1-4(2-5)3-6/h3,6H,2,5H2,1H3/b4-3-.
What are the key properties of (Z)-3-amino-2-methylprop-1-ene-1-thiol?
(Z)-3-amino-2-methylprop-1-ene-1-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)-3-amino-2-methylprop-1-ene-1-thiol is sourced from PubChem (CID 88960158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).