1,3-dichloro-5-(2-chlorophenyl)sulfanylbenzene

C12H7Cl3S — CID 100989266

IUPAC1,3-dichloro-5-(2-chlorophenyl)sulfanylbenzene
SMILESClc1cc(Cl)cc(Sc2ccccc2Cl)c1
InChIInChI=1S/C12H7Cl3S/c13-8-5-9(14)7-10(6-8)16-12-4-2-1-3-11(12)15/h1-7H
InChIKeyHRSWMWVWZBACHC-UHFFFAOYSA-N
MW289.61 g/mol
LogP5.80
Rot. Bonds2

About 1,3-dichloro-5-(2-chlorophenyl)sulfanylbenzene

1,3-dichloro-5-(2-chlorophenyl)sulfanylbenzene (PubChem CID 100989266) has the molecular formula C12H7Cl3S and a molecular weight of 289.61 g/mol. Its IUPAC name is 1,3-dichloro-5-(2-chlorophenyl)sulfanylbenzene.

Molecular Properties

Compound Name1,3-dichloro-5-(2-chlorophenyl)sulfanylbenzene
PubChem CID100989266
Molecular FormulaC12H7Cl3S
Molecular Weight289.61 g/mol
Exact Mass287.93
IUPAC Name1,3-dichloro-5-(2-chlorophenyl)sulfanylbenzene
SMILESClc1cc(Cl)cc(Sc2ccccc2Cl)c1
InChIInChI=1S/C12H7Cl3S/c13-8-5-9(14)7-10(6-8)16-12-4-2-1-3-11(12)15/h1-7H
InChIKeyHRSWMWVWZBACHC-UHFFFAOYSA-N
XLogP5.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.61
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chlorophenyl)sulfanyl-3,5-dimethylbenzene
CID 12026855
2-(2-chlorophenyl)sulfanylphenol
CID 20513469
3-(2-chlorophenyl)sulfanylbenzoic acid
CID 15727816
2-(3-chlorophenyl)sulfanylbenzenethiol
CID 57165343
4-(2-chlorophenyl)sulfanyl-2-methylbenzonitrile
CID 59604553
1-[4-(2-chlorophenyl)sulfanylphenyl]-N-methylethanamine
CID 43286279
5-chloro-2-(2-chlorophenyl)sulfanylpyridine
CID 66218398
1-chloro-2-hydroxysulfanylbenzene
CID 67172287
(2-chlorophenyl) thiohypofluorite
CID 152757433
1-chloro-2-(disulfanyl)benzene
CID 18463445
2-(2-chlorophenyl)sulfanylbenzonitrile
CID 15643699
1-(3-bromophenyl)sulfanyl-3,5-dichlorobenzene
CID 163695952

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-(2-chlorophenyl)sulfanylbenzene?
The IUPAC name of 1,3-dichloro-5-(2-chlorophenyl)sulfanylbenzene (CID 100989266) is 1,3-dichloro-5-(2-chlorophenyl)sulfanylbenzene.
What is the SMILES notation for 1,3-dichloro-5-(2-chlorophenyl)sulfanylbenzene?
The canonical SMILES for 1,3-dichloro-5-(2-chlorophenyl)sulfanylbenzene is Clc1cc(Cl)cc(Sc2ccccc2Cl)c1.
What is the InChIKey of 1,3-dichloro-5-(2-chlorophenyl)sulfanylbenzene?
The InChIKey is HRSWMWVWZBACHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3S/c13-8-5-9(14)7-10(6-8)16-12-4-2-1-3-11(12)15/h1-7H.
What are the key properties of 1,3-dichloro-5-(2-chlorophenyl)sulfanylbenzene?
1,3-dichloro-5-(2-chlorophenyl)sulfanylbenzene has a molecular weight of 289.61 g/mol, XLogP of 5.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-(2-chlorophenyl)sulfanylbenzene is sourced from PubChem (CID 100989266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).