prop-1-en-2-yl (1Z)-N-(methylamino)methanimidothioate

C5H10N2S — CID 174359467

IUPACprop-1-en-2-yl (1Z)-N-(methylamino)methanimidothioate
SMILESC=C(C)S/C=N\NC
InChIInChI=1S/C5H10N2S/c1-5(2)8-4-7-6-3/h4,6H,1H2,2-3H3/b7-4-
InChIKeyIDYCBJJOKXKKRI-DAXSKMNVSA-N
MW130.22 g/mol
LogP1.42
Rot. Bonds3

About prop-1-en-2-yl (1Z)-N-(methylamino)methanimidothioate

prop-1-en-2-yl (1Z)-N-(methylamino)methanimidothioate (PubChem CID 174359467) has the molecular formula C5H10N2S and a molecular weight of 130.22 g/mol. Its IUPAC name is prop-1-en-2-yl (1Z)-N-(methylamino)methanimidothioate.

Molecular Properties

Compound Nameprop-1-en-2-yl (1Z)-N-(methylamino)methanimidothioate
PubChem CID174359467
Molecular FormulaC5H10N2S
Molecular Weight130.22 g/mol
Exact Mass130.06
IUPAC Nameprop-1-en-2-yl (1Z)-N-(methylamino)methanimidothioate
SMILESC=C(C)S/C=N\NC
InChIInChI=1S/C5H10N2S/c1-5(2)8-4-7-6-3/h4,6H,1H2,2-3H3/b7-4-
InChIKeyIDYCBJJOKXKKRI-DAXSKMNVSA-N
XLogP1.42
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.22
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylprop-2-enylideneamino)methanamine
CID 76750151
methyl N-(methylamino)methanimidothioate
CID 91455065
N-methyl-2-[(Z)-(methylhydrazinylidene)methyl]prop-2-en-1-amine
CID 143109432
ethenyl N-(2-methylprop-2-enyl)methanimidothioate
CID 156738457
N-[(Z)-[(E)-3-ethenyl-2-methylidenepent-3-enylidene]amino]methanamine
CID 172960803
N'-(methylamino)-N-methylidenemethanimidamide
CID 142928984
1-prop-1-en-2-ylsulfanylbut-1-ene
CID 90761442
N-[(Z)-3-methylbut-3-en-2-ylideneamino]methanamine
CID 88948516
N-[(E)-[(E)-2-ethenylbut-2-enylidene]amino]methanamine
CID 144526750
ethane;N-[(Z)-3-methylbut-3-en-2-ylideneamino]methanamine
CID 142059793
buta-1,3-diene;ethane;N-methylmethanamine;2-methylprop-1-ene
CID 145396267
(Z)-3,3,3-trifluoro-1-prop-1-en-2-ylsulfanylprop-1-en-2-amine
CID 162556629

Frequently Asked Questions

What is the IUPAC name of prop-1-en-2-yl (1Z)-N-(methylamino)methanimidothioate?
The IUPAC name of prop-1-en-2-yl (1Z)-N-(methylamino)methanimidothioate (CID 174359467) is prop-1-en-2-yl (1Z)-N-(methylamino)methanimidothioate.
What is the SMILES notation for prop-1-en-2-yl (1Z)-N-(methylamino)methanimidothioate?
The canonical SMILES for prop-1-en-2-yl (1Z)-N-(methylamino)methanimidothioate is C=C(C)S/C=N\NC.
What is the InChIKey of prop-1-en-2-yl (1Z)-N-(methylamino)methanimidothioate?
The InChIKey is IDYCBJJOKXKKRI-DAXSKMNVSA-N. The full InChI is InChI=1S/C5H10N2S/c1-5(2)8-4-7-6-3/h4,6H,1H2,2-3H3/b7-4-.
What are the key properties of prop-1-en-2-yl (1Z)-N-(methylamino)methanimidothioate?
prop-1-en-2-yl (1Z)-N-(methylamino)methanimidothioate has a molecular weight of 130.22 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-2-yl (1Z)-N-(methylamino)methanimidothioate is sourced from PubChem (CID 174359467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).