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

C10H11Cl2NS — CID 134917206

IUPAC1-(4-chlorophenyl)sulfanyl-N-propan-2-ylmethanimidoyl chloride
SMILESCC(C)/N=C(\Cl)Sc1ccc(Cl)cc1
InChIInChI=1S/C10H11Cl2NS/c1-7(2)13-10(12)14-9-5-3-8(11)4-6-9/h3-7H,1-2H3/b13-10+
InChIKeyQMGKGNDPBLLZCA-JLHYYAGUSA-N
MW248.18 g/mol
LogP4.44
Rot. Bonds2

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

1-(4-chlorophenyl)sulfanyl-N-propan-2-ylmethanimidoyl chloride (PubChem CID 134917206) has the molecular formula C10H11Cl2NS and a molecular weight of 248.18 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfanyl-N-propan-2-ylmethanimidoyl chloride.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfanyl-N-propan-2-ylmethanimidoyl chloride
PubChem CID134917206
Molecular FormulaC10H11Cl2NS
Molecular Weight248.18 g/mol
Exact Mass247.00
IUPAC Name1-(4-chlorophenyl)sulfanyl-N-propan-2-ylmethanimidoyl chloride
SMILESCC(C)/N=C(\Cl)Sc1ccc(Cl)cc1
InChIInChI=1S/C10H11Cl2NS/c1-7(2)13-10(12)14-9-5-3-8(11)4-6-9/h3-7H,1-2H3/b13-10+
InChIKeyQMGKGNDPBLLZCA-JLHYYAGUSA-N
XLogP4.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.18
LogP ≤ 54.44
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

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CID 56155
2-Propanamine, 1-((4-chlorophenyl)thio)-, hydrochloride
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CID 115418
2-(4-Chloro phenylthio)-triethylamine hcl
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1-Chloro-4-[(2-isothiocyanatoethyl)sulfanyl]benzene
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1-(4-Chlorophenyl)sulfanylpropan-2-amine
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2-(p-Chlorophenylthio)-5,6-dihydro-4H-1,3-thiazine
CID 618063
1-(4-chlorophenyl)sulfanyl-N-cyclohexylmethanimidoyl chloride
CID 134989258
1-phenylsulfanyl-N-propan-2-ylmethanimidoyl chloride
CID 134989291
1-chloro-4-[(E)-4-chlorohex-3-en-3-yl]sulfanylbenzene
CID 11955005
1-chloro-4-[(E)-3-chlorobut-2-en-2-yl]sulfanylbenzene
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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfanyl-N-propan-2-ylmethanimidoyl chloride?
The IUPAC name of 1-(4-chlorophenyl)sulfanyl-N-propan-2-ylmethanimidoyl chloride (CID 134917206) is 1-(4-chlorophenyl)sulfanyl-N-propan-2-ylmethanimidoyl chloride.
What is the SMILES notation for 1-(4-chlorophenyl)sulfanyl-N-propan-2-ylmethanimidoyl chloride?
The canonical SMILES for 1-(4-chlorophenyl)sulfanyl-N-propan-2-ylmethanimidoyl chloride is CC(C)/N=C(\Cl)Sc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfanyl-N-propan-2-ylmethanimidoyl chloride?
The InChIKey is QMGKGNDPBLLZCA-JLHYYAGUSA-N. The full InChI is InChI=1S/C10H11Cl2NS/c1-7(2)13-10(12)14-9-5-3-8(11)4-6-9/h3-7H,1-2H3/b13-10+.
What are the key properties of 1-(4-chlorophenyl)sulfanyl-N-propan-2-ylmethanimidoyl chloride?
1-(4-chlorophenyl)sulfanyl-N-propan-2-ylmethanimidoyl chloride has a molecular weight of 248.18 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfanyl-N-propan-2-ylmethanimidoyl chloride is sourced from PubChem (CID 134917206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).