(Z)-3-(propylamino)prop-1-ene-1-thiol

C6H13NS — CID 143945032

IUPAC(Z)-3-(propylamino)prop-1-ene-1-thiol
SMILESCCCNC/C=C\S
InChIInChI=1S/C6H13NS/c1-2-4-7-5-3-6-8/h3,6-8H,2,4-5H2,1H3/b6-3-
InChIKeyUNZPYHVCCWRSJA-UTCJRWHESA-N
MW131.24 g/mol
LogP1.43
Rot. Bonds4

About (Z)-3-(propylamino)prop-1-ene-1-thiol

(Z)-3-(propylamino)prop-1-ene-1-thiol (PubChem CID 143945032) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is (Z)-3-(propylamino)prop-1-ene-1-thiol.

Molecular Properties

Compound Name(Z)-3-(propylamino)prop-1-ene-1-thiol
PubChem CID143945032
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name(Z)-3-(propylamino)prop-1-ene-1-thiol
SMILESCCCNC/C=C\S
InChIInChI=1S/C6H13NS/c1-2-4-7-5-3-6-8/h3,6-8H,2,4-5H2,1H3/b6-3-
InChIKeyUNZPYHVCCWRSJA-UTCJRWHESA-N
XLogP1.43
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.43
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'}

Analyze (Z)-3-(propylamino)prop-1-ene-1-thiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethanethiol, 2-allylamino-
CID 201366
Ethanethiol, 2-(hex-2-en-4-ynylamino)-, (E)-
CID 6447463
1-(Prop-2-enylamino)propane-2-thiol
CID 10898753
4-(Prop-2-enylamino)butane-1-thiol
CID 20203382
3-(Prop-2-enylamino)propane-1-thiol
CID 20203402
Bis(prop-2-enyl)-(2-sulfanylethyl)azanium
CID 40511787
1-(Prop-2-enylamino)ethanethiol
CID 57101483
N-(2-ethylsulfanylethyl)prop-2-en-1-amine
CID 62576296
N-(2-methylsulfanylethyl)but-3-en-1-amine
CID 64314910
2-(Prop-2-enylamino)ethanethial
CID 88198450
1-(Pentylamino)prop-2-ene-1-thiol
CID 88484369
1-(Prop-2-enylamino)propane-1-thiol
CID 88705860

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(propylamino)prop-1-ene-1-thiol?
The IUPAC name of (Z)-3-(propylamino)prop-1-ene-1-thiol (CID 143945032) is (Z)-3-(propylamino)prop-1-ene-1-thiol.
What is the SMILES notation for (Z)-3-(propylamino)prop-1-ene-1-thiol?
The canonical SMILES for (Z)-3-(propylamino)prop-1-ene-1-thiol is CCCNC/C=C\S.
What is the InChIKey of (Z)-3-(propylamino)prop-1-ene-1-thiol?
The InChIKey is UNZPYHVCCWRSJA-UTCJRWHESA-N. The full InChI is InChI=1S/C6H13NS/c1-2-4-7-5-3-6-8/h3,6-8H,2,4-5H2,1H3/b6-3-.
What are the key properties of (Z)-3-(propylamino)prop-1-ene-1-thiol?
(Z)-3-(propylamino)prop-1-ene-1-thiol has a molecular weight of 131.24 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(propylamino)prop-1-ene-1-thiol is sourced from PubChem (CID 143945032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).