1-chloro-4-(cyclohexylsulfanylmethyl)benzene

C13H17ClS — CID 134896905

IUPAC1-chloro-4-(cyclohexylsulfanylmethyl)benzene
SMILESClc1ccc(CSC2CCCCC2)cc1
InChIInChI=1S/C13H17ClS/c14-12-8-6-11(7-9-12)10-15-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2
InChIKeyRZJONCQKRSMZIP-UHFFFAOYSA-N
MW240.80 g/mol
LogP4.91
Rot. Bonds3

About 1-chloro-4-(cyclohexylsulfanylmethyl)benzene

1-chloro-4-(cyclohexylsulfanylmethyl)benzene (PubChem CID 134896905) has the molecular formula C13H17ClS and a molecular weight of 240.80 g/mol. Its IUPAC name is 1-chloro-4-(cyclohexylsulfanylmethyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(cyclohexylsulfanylmethyl)benzene
PubChem CID134896905
Molecular FormulaC13H17ClS
Molecular Weight240.80 g/mol
Exact Mass240.07
IUPAC Name1-chloro-4-(cyclohexylsulfanylmethyl)benzene
SMILESClc1ccc(CSC2CCCCC2)cc1
InChIInChI=1S/C13H17ClS/c14-12-8-6-11(7-9-12)10-15-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2
InChIKeyRZJONCQKRSMZIP-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.80
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Chlorbenside
CID 7639
Fluorbenside
CID 9836
4-Chlorobenzyl mercaptan
CID 80409
2-(((4-Chlorophenyl)methyl)thio)ethanol
CID 198536
p-Chlorobenzyl vinyl sulfone
CID 99234
(4-Chlorophenyl)methyl thiocyanate
CID 96152
2-Chlorobenzyl Thiocyanate
CID 286723
2,4-Dichloro-1-(((2,4-dichlorobenzyl)thio)methyl)benzene
CID 223826
1-(Benzenesulfinylmethyl)-4-chlorobenzene
CID 228204
1-Chloro-2-[[(2-chlorophenyl)methyltrisulfanyl]methyl]benzene
CID 11667388
1,3-Di(4-chloro-benzyl)trisulfane
CID 44416171
1-[(4-Chlorophenyl)methylsulfinyl]-4-methylbenzene
CID 44522627

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(cyclohexylsulfanylmethyl)benzene?
The IUPAC name of 1-chloro-4-(cyclohexylsulfanylmethyl)benzene (CID 134896905) is 1-chloro-4-(cyclohexylsulfanylmethyl)benzene.
What is the SMILES notation for 1-chloro-4-(cyclohexylsulfanylmethyl)benzene?
The canonical SMILES for 1-chloro-4-(cyclohexylsulfanylmethyl)benzene is Clc1ccc(CSC2CCCCC2)cc1.
What is the InChIKey of 1-chloro-4-(cyclohexylsulfanylmethyl)benzene?
The InChIKey is RZJONCQKRSMZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClS/c14-12-8-6-11(7-9-12)10-15-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2.
What are the key properties of 1-chloro-4-(cyclohexylsulfanylmethyl)benzene?
1-chloro-4-(cyclohexylsulfanylmethyl)benzene has a molecular weight of 240.80 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(cyclohexylsulfanylmethyl)benzene is sourced from PubChem (CID 134896905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).