1-chloro-2-[(S)-(2-methylphenyl)sulfanyl-phenylmethyl]benzene

C20H17ClS — CID 134849298

IUPAC1-chloro-2-[(S)-(2-methylphenyl)sulfanyl-phenylmethyl]benzene
SMILESCc1ccccc1S[C@@H](c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C20H17ClS/c1-15-9-5-8-14-19(15)22-20(16-10-3-2-4-11-16)17-12-6-7-13-18(17)21/h2-14,20H,1H3/t20-/m0/s1
InChIKeyUBXWEFXEKRZFEI-FQEVSTJZSA-N
MW324.88 g/mol
LogP6.53
Rot. Bonds4

About 1-chloro-2-[(S)-(2-methylphenyl)sulfanyl-phenylmethyl]benzene

1-chloro-2-[(S)-(2-methylphenyl)sulfanyl-phenylmethyl]benzene (PubChem CID 134849298) has the molecular formula C20H17ClS and a molecular weight of 324.88 g/mol. Its IUPAC name is 1-chloro-2-[(S)-(2-methylphenyl)sulfanyl-phenylmethyl]benzene.

Molecular Properties

Compound Name1-chloro-2-[(S)-(2-methylphenyl)sulfanyl-phenylmethyl]benzene
PubChem CID134849298
Molecular FormulaC20H17ClS
Molecular Weight324.88 g/mol
Exact Mass324.07
IUPAC Name1-chloro-2-[(S)-(2-methylphenyl)sulfanyl-phenylmethyl]benzene
SMILESCc1ccccc1S[C@@H](c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C20H17ClS/c1-15-9-5-8-14-19(15)22-20(16-10-3-2-4-11-16)17-12-6-7-13-18(17)21/h2-14,20H,1H3/t20-/m0/s1
InChIKeyUBXWEFXEKRZFEI-FQEVSTJZSA-N
XLogP6.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.88
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[(S)-(2-methylphenyl)sulfanyl-phenylmethyl]benzene?
The IUPAC name of 1-chloro-2-[(S)-(2-methylphenyl)sulfanyl-phenylmethyl]benzene (CID 134849298) is 1-chloro-2-[(S)-(2-methylphenyl)sulfanyl-phenylmethyl]benzene.
What is the SMILES notation for 1-chloro-2-[(S)-(2-methylphenyl)sulfanyl-phenylmethyl]benzene?
The canonical SMILES for 1-chloro-2-[(S)-(2-methylphenyl)sulfanyl-phenylmethyl]benzene is Cc1ccccc1S[C@@H](c1ccccc1)c1ccccc1Cl.
What is the InChIKey of 1-chloro-2-[(S)-(2-methylphenyl)sulfanyl-phenylmethyl]benzene?
The InChIKey is UBXWEFXEKRZFEI-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H17ClS/c1-15-9-5-8-14-19(15)22-20(16-10-3-2-4-11-16)17-12-6-7-13-18(17)21/h2-14,20H,1H3/t20-/m0/s1.
What are the key properties of 1-chloro-2-[(S)-(2-methylphenyl)sulfanyl-phenylmethyl]benzene?
1-chloro-2-[(S)-(2-methylphenyl)sulfanyl-phenylmethyl]benzene has a molecular weight of 324.88 g/mol, XLogP of 6.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[(S)-(2-methylphenyl)sulfanyl-phenylmethyl]benzene is sourced from PubChem (CID 134849298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).