(Z)-2-(methylamino)prop-1-ene-1-thiol

C4H9NS — CID 87767509

IUPAC(Z)-2-(methylamino)prop-1-ene-1-thiol
SMILESCN/C(C)=C\S
InChIInChI=1S/C4H9NS/c1-4(3-6)5-2/h3,5-6H,1-2H3/b4-3-
InChIKeyWWOLROTVYLIKSE-ARJAWSKDSA-N
MW103.19 g/mol
LogP1.00
Rot. Bonds1

About (Z)-2-(methylamino)prop-1-ene-1-thiol

(Z)-2-(methylamino)prop-1-ene-1-thiol (PubChem CID 87767509) has the molecular formula C4H9NS and a molecular weight of 103.19 g/mol. Its IUPAC name is (Z)-2-(methylamino)prop-1-ene-1-thiol.

Molecular Properties

Compound Name(Z)-2-(methylamino)prop-1-ene-1-thiol
PubChem CID87767509
Molecular FormulaC4H9NS
Molecular Weight103.19 g/mol
Exact Mass103.05
IUPAC Name(Z)-2-(methylamino)prop-1-ene-1-thiol
SMILESCN/C(C)=C\S
InChIInChI=1S/C4H9NS/c1-4(3-6)5-2/h3,5-6H,1-2H3/b4-3-
InChIKeyWWOLROTVYLIKSE-ARJAWSKDSA-N
XLogP1.00
TPSA12.03 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 ≤ 51.00
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-(methylamino)prop-1-ene-1-thiol?
The IUPAC name of (Z)-2-(methylamino)prop-1-ene-1-thiol (CID 87767509) is (Z)-2-(methylamino)prop-1-ene-1-thiol.
What is the SMILES notation for (Z)-2-(methylamino)prop-1-ene-1-thiol?
The canonical SMILES for (Z)-2-(methylamino)prop-1-ene-1-thiol is CN/C(C)=C\S.
What is the InChIKey of (Z)-2-(methylamino)prop-1-ene-1-thiol?
The InChIKey is WWOLROTVYLIKSE-ARJAWSKDSA-N. The full InChI is InChI=1S/C4H9NS/c1-4(3-6)5-2/h3,5-6H,1-2H3/b4-3-.
What are the key properties of (Z)-2-(methylamino)prop-1-ene-1-thiol?
(Z)-2-(methylamino)prop-1-ene-1-thiol has a molecular weight of 103.19 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(methylamino)prop-1-ene-1-thiol is sourced from PubChem (CID 87767509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).