1-(4-methylphenyl)sulfanyl-N-propan-2-ylmethanimidoyl chloride

C11H14ClNS — CID 134989120

IUPAC1-(4-methylphenyl)sulfanyl-N-propan-2-ylmethanimidoyl chloride
SMILESCc1ccc(S/C(Cl)=N/C(C)C)cc1
InChIInChI=1S/C11H14ClNS/c1-8(2)13-11(12)14-10-6-4-9(3)5-7-10/h4-8H,1-3H3/b13-11+
InChIKeyPRSUVQPEDFLTLZ-ACCUITESSA-N
MW227.76 g/mol
LogP4.09
Rot. Bonds2

About 1-(4-methylphenyl)sulfanyl-N-propan-2-ylmethanimidoyl chloride

1-(4-methylphenyl)sulfanyl-N-propan-2-ylmethanimidoyl chloride (PubChem CID 134989120) has the molecular formula C11H14ClNS and a molecular weight of 227.76 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfanyl-N-propan-2-ylmethanimidoyl chloride.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfanyl-N-propan-2-ylmethanimidoyl chloride
PubChem CID134989120
Molecular FormulaC11H14ClNS
Molecular Weight227.76 g/mol
Exact Mass227.05
IUPAC Name1-(4-methylphenyl)sulfanyl-N-propan-2-ylmethanimidoyl chloride
SMILESCc1ccc(S/C(Cl)=N/C(C)C)cc1
InChIInChI=1S/C11H14ClNS/c1-8(2)13-11(12)14-10-6-4-9(3)5-7-10/h4-8H,1-3H3/b13-11+
InChIKeyPRSUVQPEDFLTLZ-ACCUITESSA-N
XLogP4.09
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.76
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-methylphenyl)sulfanyl-N-propan-2-ylmethanimidoyl chloride with MolForge

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

Launch Full Analysis

Related Compounds

N,N-dimethyl-3-(4-methylphenyl)sulfanylprop-2-yn-1-amine
CID 134838226
1-[(Isocyanomethyl)sulfanyl]-4-methylbenzene
CID 20451295
N-ethyl-1-(4-methylsulfanylphenyl)methanimine
CID 11217583
N,N-diethyl-2-(4-methylphenyl)sulfanylethynamine
CID 12375708
N-propan-2-yl-1-(2,4,6-trimethylphenyl)sulfanylmethanimidoyl chloride
CID 134917334
N-cyclohexyl-1-(2,4,6-trimethylphenyl)sulfanylmethanimidoyl chloride
CID 134917428
N,N-dimethyl-2-(4-methylphenyl)sulfanylethynamine
CID 134987350
1-phenylsulfanyl-N-propan-2-ylmethanimidoyl chloride
CID 134989291
N-cyclohexyl-1-(4-methylphenyl)sulfanylmethanimidoyl chloride
CID 134989294
N-cyclopropyl-1-phenylsulfanylmethanimidoyl chloride
CID 15020972
1-(1-Isocyanoethylsulfanyl)-4-methylbenzene
CID 20716441
Methylidyne-[1-(4-methylphenyl)sulfanylethyl]azanium
CID 20716448

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfanyl-N-propan-2-ylmethanimidoyl chloride?
The IUPAC name of 1-(4-methylphenyl)sulfanyl-N-propan-2-ylmethanimidoyl chloride (CID 134989120) is 1-(4-methylphenyl)sulfanyl-N-propan-2-ylmethanimidoyl chloride.
What is the SMILES notation for 1-(4-methylphenyl)sulfanyl-N-propan-2-ylmethanimidoyl chloride?
The canonical SMILES for 1-(4-methylphenyl)sulfanyl-N-propan-2-ylmethanimidoyl chloride is Cc1ccc(S/C(Cl)=N/C(C)C)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfanyl-N-propan-2-ylmethanimidoyl chloride?
The InChIKey is PRSUVQPEDFLTLZ-ACCUITESSA-N. The full InChI is InChI=1S/C11H14ClNS/c1-8(2)13-11(12)14-10-6-4-9(3)5-7-10/h4-8H,1-3H3/b13-11+.
What are the key properties of 1-(4-methylphenyl)sulfanyl-N-propan-2-ylmethanimidoyl chloride?
1-(4-methylphenyl)sulfanyl-N-propan-2-ylmethanimidoyl chloride has a molecular weight of 227.76 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfanyl-N-propan-2-ylmethanimidoyl chloride is sourced from PubChem (CID 134989120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).