(1Z)-2-methyl-N-sulfanylbenzenecarbohydrazonoyl chloride

C8H9ClN2S — CID 145003471

IUPAC(1Z)-2-methyl-N-sulfanylbenzenecarbohydrazonoyl chloride
SMILESCc1ccccc1/C(Cl)=N/NS
InChIInChI=1S/C8H9ClN2S/c1-6-4-2-3-5-7(6)8(9)10-11-12/h2-5,11-12H,1H3/b10-8-
InChIKeyLKAHWKFFPDZBBA-NTMALXAHSA-N
MW200.69 g/mol
LogP2.33
Rot. Bonds2

About (1Z)-2-methyl-N-sulfanylbenzenecarbohydrazonoyl chloride

(1Z)-2-methyl-N-sulfanylbenzenecarbohydrazonoyl chloride (PubChem CID 145003471) has the molecular formula C8H9ClN2S and a molecular weight of 200.69 g/mol. Its IUPAC name is (1Z)-2-methyl-N-sulfanylbenzenecarbohydrazonoyl chloride.

Molecular Properties

Compound Name(1Z)-2-methyl-N-sulfanylbenzenecarbohydrazonoyl chloride
PubChem CID145003471
Molecular FormulaC8H9ClN2S
Molecular Weight200.69 g/mol
Exact Mass200.02
IUPAC Name(1Z)-2-methyl-N-sulfanylbenzenecarbohydrazonoyl chloride
SMILESCc1ccccc1/C(Cl)=N/NS
InChIInChI=1S/C8H9ClN2S/c1-6-4-2-3-5-7(6)8(9)10-11-12/h2-5,11-12H,1H3/b10-8-
InChIKeyLKAHWKFFPDZBBA-NTMALXAHSA-N
XLogP2.33
TPSA24.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.69
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (1Z)-2-methyl-N-sulfanylbenzenecarbohydrazonoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-methyl-N-sulfanylbenzenecarbohydrazonoyl chloride?
The IUPAC name of (1Z)-2-methyl-N-sulfanylbenzenecarbohydrazonoyl chloride (CID 145003471) is (1Z)-2-methyl-N-sulfanylbenzenecarbohydrazonoyl chloride.
What is the SMILES notation for (1Z)-2-methyl-N-sulfanylbenzenecarbohydrazonoyl chloride?
The canonical SMILES for (1Z)-2-methyl-N-sulfanylbenzenecarbohydrazonoyl chloride is Cc1ccccc1/C(Cl)=N/NS.
What is the InChIKey of (1Z)-2-methyl-N-sulfanylbenzenecarbohydrazonoyl chloride?
The InChIKey is LKAHWKFFPDZBBA-NTMALXAHSA-N. The full InChI is InChI=1S/C8H9ClN2S/c1-6-4-2-3-5-7(6)8(9)10-11-12/h2-5,11-12H,1H3/b10-8-.
What are the key properties of (1Z)-2-methyl-N-sulfanylbenzenecarbohydrazonoyl chloride?
(1Z)-2-methyl-N-sulfanylbenzenecarbohydrazonoyl chloride has a molecular weight of 200.69 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-methyl-N-sulfanylbenzenecarbohydrazonoyl chloride is sourced from PubChem (CID 145003471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).