1-bromo-4-[(E)-2-chloro-1-phenylethenyl]sulfanylbenzene

C14H10BrClS — CID 139262827

IUPAC1-bromo-4-[(E)-2-chloro-1-phenylethenyl]sulfanylbenzene
SMILESCl/C=C(/Sc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C14H10BrClS/c15-12-6-8-13(9-7-12)17-14(10-16)11-4-2-1-3-5-11/h1-10H/b14-10+
InChIKeyJWDUUBAYAMHKDX-GXDHUFHOSA-N
MW325.66 g/mol
LogP5.78
Rot. Bonds3

About 1-bromo-4-[(E)-2-chloro-1-phenylethenyl]sulfanylbenzene

1-bromo-4-[(E)-2-chloro-1-phenylethenyl]sulfanylbenzene (PubChem CID 139262827) has the molecular formula C14H10BrClS and a molecular weight of 325.66 g/mol. Its IUPAC name is 1-bromo-4-[(E)-2-chloro-1-phenylethenyl]sulfanylbenzene.

Molecular Properties

Compound Name1-bromo-4-[(E)-2-chloro-1-phenylethenyl]sulfanylbenzene
PubChem CID139262827
Molecular FormulaC14H10BrClS
Molecular Weight325.66 g/mol
Exact Mass323.94
IUPAC Name1-bromo-4-[(E)-2-chloro-1-phenylethenyl]sulfanylbenzene
SMILESCl/C=C(/Sc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C14H10BrClS/c15-12-6-8-13(9-7-12)17-14(10-16)11-4-2-1-3-5-11/h1-10H/b14-10+
InChIKeyJWDUUBAYAMHKDX-GXDHUFHOSA-N
XLogP5.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.66
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(E)-2-chloro-1-phenylethenyl]sulfanylbenzene
CID 91738284
1-chloro-4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]sulfanylbenzene
CID 56956432
3-(4-chlorophenyl)sulfanyl-1,3-diphenylprop-2-en-1-one
CID 71416462
phenyl N-(4-bromophenyl)benzenecarboximidothioate
CID 621069
S-(4-bromophenyl) (E)-3-phenylprop-2-enethioate
CID 100922757
N-[2,2-bis[(4-bromophenyl)sulfanyl]-1-cyanoethenyl]benzamide
CID 45148603
(Z)-3-(4-methylphenyl)sulfanyl-3-phenylprop-2-enoic acid
CID 5385343
1-bromo-4-[(E)-2-bromo-1-phenylethenyl]benzene
CID 44719904
1-bromo-4-[(1Z,7Z)-7-(4-bromophenyl)sulfanyl-1,8-diphenylocta-1,7-dien-2-yl]sulfanylbenzene
CID 102303023
(Z)-3-(4-bromophenyl)-3-phenylprop-2-en-1-ol
CID 22270289
1-bromo-4-[(Z)-1-phenylprop-1-enyl]benzene
CID 71096941
2,3-bis(2-phenyl-2-phenylsulfanylethenyl)quinoxaline
CID 139835702

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(E)-2-chloro-1-phenylethenyl]sulfanylbenzene?
The IUPAC name of 1-bromo-4-[(E)-2-chloro-1-phenylethenyl]sulfanylbenzene (CID 139262827) is 1-bromo-4-[(E)-2-chloro-1-phenylethenyl]sulfanylbenzene.
What is the SMILES notation for 1-bromo-4-[(E)-2-chloro-1-phenylethenyl]sulfanylbenzene?
The canonical SMILES for 1-bromo-4-[(E)-2-chloro-1-phenylethenyl]sulfanylbenzene is Cl/C=C(/Sc1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of 1-bromo-4-[(E)-2-chloro-1-phenylethenyl]sulfanylbenzene?
The InChIKey is JWDUUBAYAMHKDX-GXDHUFHOSA-N. The full InChI is InChI=1S/C14H10BrClS/c15-12-6-8-13(9-7-12)17-14(10-16)11-4-2-1-3-5-11/h1-10H/b14-10+.
What are the key properties of 1-bromo-4-[(E)-2-chloro-1-phenylethenyl]sulfanylbenzene?
1-bromo-4-[(E)-2-chloro-1-phenylethenyl]sulfanylbenzene has a molecular weight of 325.66 g/mol, XLogP of 5.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(E)-2-chloro-1-phenylethenyl]sulfanylbenzene is sourced from PubChem (CID 139262827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).