N-(5-chloro-2-methylphenyl)-4-methyl-1,3-dithiol-2-imine;hydrochloride

C11H11Cl2NS2 — CID 88822051

IUPACN-(5-chloro-2-methylphenyl)-4-methyl-1,3-dithiol-2-imine;hydrochloride
SMILESCc1cs/c(=N\c2cc(Cl)ccc2C)s1.Cl
InChIInChI=1S/C11H10ClNS2.ClH/c1-7-3-4-9(12)5-10(7)13-11-14-6-8(2)15-11;/h3-6H,1-2H3;1H/b13-11+;
InChIKeyTXFQAMVCQBEHAZ-BNSHTTSQSA-N
MW292.26 g/mol
LogP4.73
Rot. Bonds1

About N-(5-chloro-2-methylphenyl)-4-methyl-1,3-dithiol-2-imine;hydrochloride

N-(5-chloro-2-methylphenyl)-4-methyl-1,3-dithiol-2-imine;hydrochloride (PubChem CID 88822051) has the molecular formula C11H11Cl2NS2 and a molecular weight of 292.26 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-4-methyl-1,3-dithiol-2-imine;hydrochloride.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-4-methyl-1,3-dithiol-2-imine;hydrochloride
PubChem CID88822051
Molecular FormulaC11H11Cl2NS2
Molecular Weight292.26 g/mol
Exact Mass290.97
IUPAC NameN-(5-chloro-2-methylphenyl)-4-methyl-1,3-dithiol-2-imine;hydrochloride
SMILESCc1cs/c(=N\c2cc(Cl)ccc2C)s1.Cl
InChIInChI=1S/C11H10ClNS2.ClH/c1-7-3-4-9(12)5-10(7)13-11-14-6-8(2)15-11;/h3-6H,1-2H3;1H/b13-11+;
InChIKeyTXFQAMVCQBEHAZ-BNSHTTSQSA-N
XLogP4.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-4-methyl-1,3-dithiol-2-imine;hydrochloride?
The IUPAC name of N-(5-chloro-2-methylphenyl)-4-methyl-1,3-dithiol-2-imine;hydrochloride (CID 88822051) is N-(5-chloro-2-methylphenyl)-4-methyl-1,3-dithiol-2-imine;hydrochloride.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-4-methyl-1,3-dithiol-2-imine;hydrochloride?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-4-methyl-1,3-dithiol-2-imine;hydrochloride is Cc1cs/c(=N\c2cc(Cl)ccc2C)s1.Cl.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-4-methyl-1,3-dithiol-2-imine;hydrochloride?
The InChIKey is TXFQAMVCQBEHAZ-BNSHTTSQSA-N. The full InChI is InChI=1S/C11H10ClNS2.ClH/c1-7-3-4-9(12)5-10(7)13-11-14-6-8(2)15-11;/h3-6H,1-2H3;1H/b13-11+;.
What are the key properties of N-(5-chloro-2-methylphenyl)-4-methyl-1,3-dithiol-2-imine;hydrochloride?
N-(5-chloro-2-methylphenyl)-4-methyl-1,3-dithiol-2-imine;hydrochloride has a molecular weight of 292.26 g/mol, XLogP of 4.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-4-methyl-1,3-dithiol-2-imine;hydrochloride is sourced from PubChem (CID 88822051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).