1-bromo-3-[(2-chlorophenyl)methylsulfanylmethyl]benzene

C14H12BrClS — CID 103599900

IUPAC1-bromo-3-[(2-chlorophenyl)methylsulfanylmethyl]benzene
SMILESClc1ccccc1CSCc1cccc(Br)c1
InChIInChI=1S/C14H12BrClS/c15-13-6-3-4-11(8-13)9-17-10-12-5-1-2-7-14(12)16/h1-8H,9-10H2
InChIKeyIAFWRLMGOGSKOZ-UHFFFAOYSA-N
MW327.67 g/mol
LogP5.54
Rot. Bonds4

About 1-bromo-3-[(2-chlorophenyl)methylsulfanylmethyl]benzene

1-bromo-3-[(2-chlorophenyl)methylsulfanylmethyl]benzene (PubChem CID 103599900) has the molecular formula C14H12BrClS and a molecular weight of 327.67 g/mol. Its IUPAC name is 1-bromo-3-[(2-chlorophenyl)methylsulfanylmethyl]benzene.

Molecular Properties

Compound Name1-bromo-3-[(2-chlorophenyl)methylsulfanylmethyl]benzene
PubChem CID103599900
Molecular FormulaC14H12BrClS
Molecular Weight327.67 g/mol
Exact Mass325.95
IUPAC Name1-bromo-3-[(2-chlorophenyl)methylsulfanylmethyl]benzene
SMILESClc1ccccc1CSCc1cccc(Br)c1
InChIInChI=1S/C14H12BrClS/c15-13-6-3-4-11(8-13)9-17-10-12-5-1-2-7-14(12)16/h1-8H,9-10H2
InChIKeyIAFWRLMGOGSKOZ-UHFFFAOYSA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.67
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-3-(ethylsulfanylmethyl)benzene
CID 60643993
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1-bromo-3-(propylsulfanylmethyl)benzene
CID 60645412
1-(3-bromophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 60819594
2-[(3-bromophenyl)methylsulfanyl]-3-chloroaniline
CID 43304978
4-[(2-chlorophenyl)methylsulfanylmethyl]pyridine-2-carbonitrile
CID 103825985
(2S)-2-[(3-bromophenyl)methyl-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)propanamide
CID 100725277
1-bromo-3-[(4-chlorophenyl)sulfanylmethyl]benzene
CID 60625566
3-(3-bromophenyl)-N-[(2-chlorophenyl)methyl]propanamide
CID 43011216
4-[(2-chlorophenyl)methylsulfanylmethyl]-N-ethylpyridin-2-amine
CID 103289825
1-[(3-bromophenyl)methylsulfanyl]-3-methylbutan-2-one
CID 58963747
3-[5-[(2-chlorophenyl)methylsulfanylmethyl]-2-fluorophenyl]prop-2-yn-1-ol
CID 103289440

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[(2-chlorophenyl)methylsulfanylmethyl]benzene?
The IUPAC name of 1-bromo-3-[(2-chlorophenyl)methylsulfanylmethyl]benzene (CID 103599900) is 1-bromo-3-[(2-chlorophenyl)methylsulfanylmethyl]benzene.
What is the SMILES notation for 1-bromo-3-[(2-chlorophenyl)methylsulfanylmethyl]benzene?
The canonical SMILES for 1-bromo-3-[(2-chlorophenyl)methylsulfanylmethyl]benzene is Clc1ccccc1CSCc1cccc(Br)c1.
What is the InChIKey of 1-bromo-3-[(2-chlorophenyl)methylsulfanylmethyl]benzene?
The InChIKey is IAFWRLMGOGSKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClS/c15-13-6-3-4-11(8-13)9-17-10-12-5-1-2-7-14(12)16/h1-8H,9-10H2.
What are the key properties of 1-bromo-3-[(2-chlorophenyl)methylsulfanylmethyl]benzene?
1-bromo-3-[(2-chlorophenyl)methylsulfanylmethyl]benzene has a molecular weight of 327.67 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[(2-chlorophenyl)methylsulfanylmethyl]benzene is sourced from PubChem (CID 103599900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).