1-chloro-2,3-bis(phenylsulfanyl)benzene

C18H13ClS2 — CID 68785824

IUPAC1-chloro-2,3-bis(phenylsulfanyl)benzene
SMILESClc1cccc(Sc2ccccc2)c1Sc1ccccc1
InChIInChI=1S/C18H13ClS2/c19-16-12-7-13-17(20-14-8-3-1-4-9-14)18(16)21-15-10-5-2-6-11-15/h1-13H
InChIKeyDZOCIPRVOWHRIF-UHFFFAOYSA-N
MW328.89 g/mol
LogP6.64
Rot. Bonds4

About 1-chloro-2,3-bis(phenylsulfanyl)benzene

1-chloro-2,3-bis(phenylsulfanyl)benzene (PubChem CID 68785824) has the molecular formula C18H13ClS2 and a molecular weight of 328.89 g/mol. Its IUPAC name is 1-chloro-2,3-bis(phenylsulfanyl)benzene.

Molecular Properties

Compound Name1-chloro-2,3-bis(phenylsulfanyl)benzene
PubChem CID68785824
Molecular FormulaC18H13ClS2
Molecular Weight328.89 g/mol
Exact Mass328.01
IUPAC Name1-chloro-2,3-bis(phenylsulfanyl)benzene
SMILESClc1cccc(Sc2ccccc2)c1Sc1ccccc1
InChIInChI=1S/C18H13ClS2/c19-16-12-7-13-17(20-14-8-3-1-4-9-14)18(16)21-15-10-5-2-6-11-15/h1-13H
InChIKeyDZOCIPRVOWHRIF-UHFFFAOYSA-N
XLogP6.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.89
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,3-bis(phenylsulfanyl)benzene?
The IUPAC name of 1-chloro-2,3-bis(phenylsulfanyl)benzene (CID 68785824) is 1-chloro-2,3-bis(phenylsulfanyl)benzene.
What is the SMILES notation for 1-chloro-2,3-bis(phenylsulfanyl)benzene?
The canonical SMILES for 1-chloro-2,3-bis(phenylsulfanyl)benzene is Clc1cccc(Sc2ccccc2)c1Sc1ccccc1.
What is the InChIKey of 1-chloro-2,3-bis(phenylsulfanyl)benzene?
The InChIKey is DZOCIPRVOWHRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClS2/c19-16-12-7-13-17(20-14-8-3-1-4-9-14)18(16)21-15-10-5-2-6-11-15/h1-13H.
What are the key properties of 1-chloro-2,3-bis(phenylsulfanyl)benzene?
1-chloro-2,3-bis(phenylsulfanyl)benzene has a molecular weight of 328.89 g/mol, XLogP of 6.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,3-bis(phenylsulfanyl)benzene is sourced from PubChem (CID 68785824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).