1-chloro-3-(4-methoxyphenyl)sulfanyl-5-methylbenzene

C14H13ClOS — CID 102434842

IUPAC1-chloro-3-(4-methoxyphenyl)sulfanyl-5-methylbenzene
SMILESCOc1ccc(Sc2cc(C)cc(Cl)c2)cc1
InChIInChI=1S/C14H13ClOS/c1-10-7-11(15)9-14(8-10)17-13-5-3-12(16-2)4-6-13/h3-9H,1-2H3
InChIKeyYGGCMCLHKXNQMC-UHFFFAOYSA-N
MW264.78 g/mol
LogP4.81
Rot. Bonds3

About 1-chloro-3-(4-methoxyphenyl)sulfanyl-5-methylbenzene

1-chloro-3-(4-methoxyphenyl)sulfanyl-5-methylbenzene (PubChem CID 102434842) has the molecular formula C14H13ClOS and a molecular weight of 264.78 g/mol. Its IUPAC name is 1-chloro-3-(4-methoxyphenyl)sulfanyl-5-methylbenzene.

Molecular Properties

Compound Name1-chloro-3-(4-methoxyphenyl)sulfanyl-5-methylbenzene
PubChem CID102434842
Molecular FormulaC14H13ClOS
Molecular Weight264.78 g/mol
Exact Mass264.04
IUPAC Name1-chloro-3-(4-methoxyphenyl)sulfanyl-5-methylbenzene
SMILESCOc1ccc(Sc2cc(C)cc(Cl)c2)cc1
InChIInChI=1S/C14H13ClOS/c1-10-7-11(15)9-14(8-10)17-13-5-3-12(16-2)4-6-13/h3-9H,1-2H3
InChIKeyYGGCMCLHKXNQMC-UHFFFAOYSA-N
XLogP4.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.78
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dimethoxy-5-(4-methoxyphenyl)sulfanylbenzene
CID 176734451
2-(4-methoxyphenyl)sulfanyl-1,3,5-trimethylbenzene
CID 13052775
bis(4-methoxyphenyl)-[4-[4-[(4-methoxyphenyl)-(4-methylphenyl)sulfonio]phenyl]sulfanylphenyl]sulfanium
CID 159907768
1-[bromo-(4-methoxyphenyl)methyl]-3-chloro-5-methylbenzene
CID 81324402
4-(4-methoxyphenyl)sulfanyl-2-methylaniline
CID 43436441
4-chloro-6-(4-methoxyphenyl)sulfanyl-2-methylsulfanylpyrimidine
CID 1488149
2-methoxy-1-(4-methoxyphenyl)sulfanyl-4-methylbenzene
CID 18738952
1-chloro-4-methylbenzene;ethane;1-methoxy-4-methylbenzene
CID 145316184
3-(4-chlorophenyl)sulfanyl-1-(3,5-dimethylphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110557101
4-chloro-6-(4-methoxyphenyl)sulfanylpyrimidine
CID 61280001
2-iodo-1-methoxy-4-(4-methoxyphenyl)sulfanylbenzene
CID 91876566
1-chloro-3-(4-methylphenyl)sulfanylbenzene
CID 91027886

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(4-methoxyphenyl)sulfanyl-5-methylbenzene?
The IUPAC name of 1-chloro-3-(4-methoxyphenyl)sulfanyl-5-methylbenzene (CID 102434842) is 1-chloro-3-(4-methoxyphenyl)sulfanyl-5-methylbenzene.
What is the SMILES notation for 1-chloro-3-(4-methoxyphenyl)sulfanyl-5-methylbenzene?
The canonical SMILES for 1-chloro-3-(4-methoxyphenyl)sulfanyl-5-methylbenzene is COc1ccc(Sc2cc(C)cc(Cl)c2)cc1.
What is the InChIKey of 1-chloro-3-(4-methoxyphenyl)sulfanyl-5-methylbenzene?
The InChIKey is YGGCMCLHKXNQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClOS/c1-10-7-11(15)9-14(8-10)17-13-5-3-12(16-2)4-6-13/h3-9H,1-2H3.
What are the key properties of 1-chloro-3-(4-methoxyphenyl)sulfanyl-5-methylbenzene?
1-chloro-3-(4-methoxyphenyl)sulfanyl-5-methylbenzene has a molecular weight of 264.78 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(4-methoxyphenyl)sulfanyl-5-methylbenzene is sourced from PubChem (CID 102434842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).