(prop-1-en-2-ylamino)methanethiol

C4H9NS — CID 138690538

IUPAC(prop-1-en-2-ylamino)methanethiol
SMILESC=C(C)NCS
InChIInChI=1S/C4H9NS/c1-4(2)5-3-6/h5-6H,1,3H2,2H3
InChIKeyQOWBQMKUHXJPTD-UHFFFAOYSA-N
MW103.19 g/mol
LogP1.00
Rot. Bonds2

About (prop-1-en-2-ylamino)methanethiol

(prop-1-en-2-ylamino)methanethiol (PubChem CID 138690538) has the molecular formula C4H9NS and a molecular weight of 103.19 g/mol. Its IUPAC name is (prop-1-en-2-ylamino)methanethiol.

Molecular Properties

Compound Name(prop-1-en-2-ylamino)methanethiol
PubChem CID138690538
Molecular FormulaC4H9NS
Molecular Weight103.19 g/mol
Exact Mass103.05
IUPAC Name(prop-1-en-2-ylamino)methanethiol
SMILESC=C(C)NCS
InChIInChI=1S/C4H9NS/c1-4(2)5-3-6/h5-6H,1,3H2,2H3
InChIKeyQOWBQMKUHXJPTD-UHFFFAOYSA-N
XLogP1.00
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(Methylamino)prop-2-enyl thiohypofluorite
CID 138631742
[(Z)-2-(methylamino)prop-1-enyl] thiohypofluorite
CID 139439204
N-methylprop-1-en-2-amine
CID 11007812
N-methyl-3-methylsulfanylprop-1-en-2-amine
CID 20609271
Methyl(prop-1-en-2-yl)azanium
CID 58091792
(Z)-2-(methylamino)prop-1-ene-1-thiol
CID 87767509
N-prop-1-en-2-ylmethanethioamide
CID 88081370
(Z)-2-(methylamino)but-1-ene-1-thiol
CID 88978512
(Z)-2-(ethylamino)prop-1-ene-1-thiol
CID 89276863
(Z)-N-methyl-1-methylsulfanylprop-1-en-2-amine
CID 118616691
(Z)-N-methyl-1-propan-2-ylsulfanylprop-1-en-2-amine
CID 130374445
[[(2E)-penta-2,4-dien-2-yl]amino]methanethiol
CID 131970974

Frequently Asked Questions

What is the IUPAC name of (prop-1-en-2-ylamino)methanethiol?
The IUPAC name of (prop-1-en-2-ylamino)methanethiol (CID 138690538) is (prop-1-en-2-ylamino)methanethiol.
What is the SMILES notation for (prop-1-en-2-ylamino)methanethiol?
The canonical SMILES for (prop-1-en-2-ylamino)methanethiol is C=C(C)NCS.
What is the InChIKey of (prop-1-en-2-ylamino)methanethiol?
The InChIKey is QOWBQMKUHXJPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NS/c1-4(2)5-3-6/h5-6H,1,3H2,2H3.
What are the key properties of (prop-1-en-2-ylamino)methanethiol?
(prop-1-en-2-ylamino)methanethiol has a molecular weight of 103.19 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (prop-1-en-2-ylamino)methanethiol is sourced from PubChem (CID 138690538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).