N-propan-2-yl-1-(2,4,6-trimethylphenyl)sulfanylmethanimidoyl chloride

C13H18ClNS — CID 134917334

IUPACN-propan-2-yl-1-(2,4,6-trimethylphenyl)sulfanylmethanimidoyl chloride
SMILESCc1cc(C)c(S/C(Cl)=N/C(C)C)c(C)c1
InChIInChI=1S/C13H18ClNS/c1-8(2)15-13(14)16-12-10(4)6-9(3)7-11(12)5/h6-8H,1-5H3/b15-13+
InChIKeyJDDBWSGRVCFLSF-FYWRMAATSA-N
MW255.81 g/mol
LogP4.71
Rot. Bonds2

About N-propan-2-yl-1-(2,4,6-trimethylphenyl)sulfanylmethanimidoyl chloride

N-propan-2-yl-1-(2,4,6-trimethylphenyl)sulfanylmethanimidoyl chloride (PubChem CID 134917334) has the molecular formula C13H18ClNS and a molecular weight of 255.81 g/mol. Its IUPAC name is N-propan-2-yl-1-(2,4,6-trimethylphenyl)sulfanylmethanimidoyl chloride.

Molecular Properties

Compound NameN-propan-2-yl-1-(2,4,6-trimethylphenyl)sulfanylmethanimidoyl chloride
PubChem CID134917334
Molecular FormulaC13H18ClNS
Molecular Weight255.81 g/mol
Exact Mass255.08
IUPAC NameN-propan-2-yl-1-(2,4,6-trimethylphenyl)sulfanylmethanimidoyl chloride
SMILESCc1cc(C)c(S/C(Cl)=N/C(C)C)c(C)c1
InChIInChI=1S/C13H18ClNS/c1-8(2)15-13(14)16-12-10(4)6-9(3)7-11(12)5/h6-8H,1-5H3/b15-13+
InChIKeyJDDBWSGRVCFLSF-FYWRMAATSA-N
XLogP4.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.81
LogP ≤ 54.71
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'}

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Related Compounds

N-cyclohexyl-1-(2,4,6-trimethylphenyl)sulfanylmethanimidoyl chloride
CID 134917428
1-(4-methylphenyl)sulfanyl-N-propan-2-ylmethanimidoyl chloride
CID 134989120
N-cyclohexyl-1-(4-methylphenyl)sulfanylmethanimidoyl chloride
CID 134989294
N-[(2,6-dimethylphenyl)sulfanylmethyl]-N-propan-2-ylpropan-2-amine
CID 23232789
2-(2,6-Dimethylphenyl)sulfanyl-4,5-dihydro-1,3-thiazole
CID 12217255
1-(2,4,6-Trimethylphenyl)sulfanylpropan-2-amine
CID 82283991
2-(2,4-dimethylphenyl)sulfanyl-5-methyl-5,6-dihydro-4H-1,3-thiazine
CID 85930879
2-Methyl-2-(2,4,6-trimethylphenyl)sulfanylpropan-1-amine
CID 116853499
4-(2,4,6-Trimethylphenyl)sulfanylbutan-2-amine
CID 117032698
N-[(2,4,6-trimethylphenyl)sulfanylmethyl]propan-2-amine
CID 117032895
2-(2-Isocyanoethylsulfanyl)-1,3,5-trimethylbenzene
CID 133679426

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-(2,4,6-trimethylphenyl)sulfanylmethanimidoyl chloride?
The IUPAC name of N-propan-2-yl-1-(2,4,6-trimethylphenyl)sulfanylmethanimidoyl chloride (CID 134917334) is N-propan-2-yl-1-(2,4,6-trimethylphenyl)sulfanylmethanimidoyl chloride.
What is the SMILES notation for N-propan-2-yl-1-(2,4,6-trimethylphenyl)sulfanylmethanimidoyl chloride?
The canonical SMILES for N-propan-2-yl-1-(2,4,6-trimethylphenyl)sulfanylmethanimidoyl chloride is Cc1cc(C)c(S/C(Cl)=N/C(C)C)c(C)c1.
What is the InChIKey of N-propan-2-yl-1-(2,4,6-trimethylphenyl)sulfanylmethanimidoyl chloride?
The InChIKey is JDDBWSGRVCFLSF-FYWRMAATSA-N. The full InChI is InChI=1S/C13H18ClNS/c1-8(2)15-13(14)16-12-10(4)6-9(3)7-11(12)5/h6-8H,1-5H3/b15-13+.
What are the key properties of N-propan-2-yl-1-(2,4,6-trimethylphenyl)sulfanylmethanimidoyl chloride?
N-propan-2-yl-1-(2,4,6-trimethylphenyl)sulfanylmethanimidoyl chloride has a molecular weight of 255.81 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-(2,4,6-trimethylphenyl)sulfanylmethanimidoyl chloride is sourced from PubChem (CID 134917334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).