(Z)-3-amino-N-methylprop-2-enimidoyl chloride;methylsulfanylmethane

C6H13ClN2S — CID 143705301

IUPAC(Z)-3-amino-N-methylprop-2-enimidoyl chloride;methylsulfanylmethane
SMILESC/N=C(Cl)/C=C\N.CSC
InChIInChI=1S/C4H7ClN2.C2H6S/c1-7-4(5)2-3-6;1-3-2/h2-3H,6H2,1H3;1-2H3/b3-2-,7-4-;
InChIKeyDYFYHDMQJAUUNN-YBWDWWGFSA-N
MW180.70 g/mol
LogP1.71
Rot. Bonds1

About (Z)-3-amino-N-methylprop-2-enimidoyl chloride;methylsulfanylmethane

(Z)-3-amino-N-methylprop-2-enimidoyl chloride;methylsulfanylmethane (PubChem CID 143705301) has the molecular formula C6H13ClN2S and a molecular weight of 180.70 g/mol. Its IUPAC name is (Z)-3-amino-N-methylprop-2-enimidoyl chloride;methylsulfanylmethane.

Molecular Properties

Compound Name(Z)-3-amino-N-methylprop-2-enimidoyl chloride;methylsulfanylmethane
PubChem CID143705301
Molecular FormulaC6H13ClN2S
Molecular Weight180.70 g/mol
Exact Mass180.05
IUPAC Name(Z)-3-amino-N-methylprop-2-enimidoyl chloride;methylsulfanylmethane
SMILESC/N=C(Cl)/C=C\N.CSC
InChIInChI=1S/C4H7ClN2.C2H6S/c1-7-4(5)2-3-6;1-3-2/h2-3H,6H2,1H3;1-2H3/b3-2-,7-4-;
InChIKeyDYFYHDMQJAUUNN-YBWDWWGFSA-N
XLogP1.71
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.70
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-N-methylprop-2-enimidoyl chloride;methylsulfanylmethane?
The IUPAC name of (Z)-3-amino-N-methylprop-2-enimidoyl chloride;methylsulfanylmethane (CID 143705301) is (Z)-3-amino-N-methylprop-2-enimidoyl chloride;methylsulfanylmethane.
What is the SMILES notation for (Z)-3-amino-N-methylprop-2-enimidoyl chloride;methylsulfanylmethane?
The canonical SMILES for (Z)-3-amino-N-methylprop-2-enimidoyl chloride;methylsulfanylmethane is C/N=C(Cl)/C=C\N.CSC.
What is the InChIKey of (Z)-3-amino-N-methylprop-2-enimidoyl chloride;methylsulfanylmethane?
The InChIKey is DYFYHDMQJAUUNN-YBWDWWGFSA-N. The full InChI is InChI=1S/C4H7ClN2.C2H6S/c1-7-4(5)2-3-6;1-3-2/h2-3H,6H2,1H3;1-2H3/b3-2-,7-4-;.
What are the key properties of (Z)-3-amino-N-methylprop-2-enimidoyl chloride;methylsulfanylmethane?
(Z)-3-amino-N-methylprop-2-enimidoyl chloride;methylsulfanylmethane has a molecular weight of 180.70 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-N-methylprop-2-enimidoyl chloride;methylsulfanylmethane is sourced from PubChem (CID 143705301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).