1-[(E)-2-chloro-1-phenylethenyl]sulfanyl-2-methylbenzene

C15H13ClS — CID 139262829

IUPAC1-[(E)-2-chloro-1-phenylethenyl]sulfanyl-2-methylbenzene
SMILESCc1ccccc1S/C(=C/Cl)c1ccccc1
InChIInChI=1S/C15H13ClS/c1-12-7-5-6-10-14(12)17-15(11-16)13-8-3-2-4-9-13/h2-11H,1H3/b15-11+
InChIKeyFONXEPSOCAAPOY-RVDMUPIBSA-N
MW260.79 g/mol
LogP5.32
Rot. Bonds3

About 1-[(E)-2-chloro-1-phenylethenyl]sulfanyl-2-methylbenzene

1-[(E)-2-chloro-1-phenylethenyl]sulfanyl-2-methylbenzene (PubChem CID 139262829) has the molecular formula C15H13ClS and a molecular weight of 260.79 g/mol. Its IUPAC name is 1-[(E)-2-chloro-1-phenylethenyl]sulfanyl-2-methylbenzene.

Molecular Properties

Compound Name1-[(E)-2-chloro-1-phenylethenyl]sulfanyl-2-methylbenzene
PubChem CID139262829
Molecular FormulaC15H13ClS
Molecular Weight260.79 g/mol
Exact Mass260.04
IUPAC Name1-[(E)-2-chloro-1-phenylethenyl]sulfanyl-2-methylbenzene
SMILESCc1ccccc1S/C(=C/Cl)c1ccccc1
InChIInChI=1S/C15H13ClS/c1-12-7-5-6-10-14(12)17-15(11-16)13-8-3-2-4-9-13/h2-11H,1H3/b15-11+
InChIKeyFONXEPSOCAAPOY-RVDMUPIBSA-N
XLogP5.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.79
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(E)-2-chloro-1-phenylethenyl]sulfanylbenzene
CID 91738284
1-bromo-4-[(E)-2-chloro-1-phenylethenyl]sulfanylbenzene
CID 139262827
(2-methylphenyl) ethanedithioate
CID 139915930
1-[(E)-2-chloroethenyl]sulfanyl-2-methylbenzene
CID 131233381
1,1,2-trichloroethene;1,2-xylene
CID 87895768
(2-chloro-1-phenylethenyl) thiocyanate
CID 174929709
ethane;1-methyl-2-[(E)-pent-2-en-2-yl]sulfanylbenzene
CID 177195122
1-methyl-2-[(Z)-2-(2-methylphenyl)sulfanylethenyl]sulfanylbenzene
CID 166447004
[(E)-1-chloroprop-1-en-2-yl]benzene
CID 12504275
(2-methylphenyl) N,N-dimethylcarbamodithioate
CID 15103810
(2-methylphenyl) N-[[(2-methylphenyl)sulfanylcarbothioylamino]-phenylmethyl]carbamodithioate
CID 140862897
(2-methylphenyl) N-phenylpropanimidothioate
CID 143805896

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-chloro-1-phenylethenyl]sulfanyl-2-methylbenzene?
The IUPAC name of 1-[(E)-2-chloro-1-phenylethenyl]sulfanyl-2-methylbenzene (CID 139262829) is 1-[(E)-2-chloro-1-phenylethenyl]sulfanyl-2-methylbenzene.
What is the SMILES notation for 1-[(E)-2-chloro-1-phenylethenyl]sulfanyl-2-methylbenzene?
The canonical SMILES for 1-[(E)-2-chloro-1-phenylethenyl]sulfanyl-2-methylbenzene is Cc1ccccc1S/C(=C/Cl)c1ccccc1.
What is the InChIKey of 1-[(E)-2-chloro-1-phenylethenyl]sulfanyl-2-methylbenzene?
The InChIKey is FONXEPSOCAAPOY-RVDMUPIBSA-N. The full InChI is InChI=1S/C15H13ClS/c1-12-7-5-6-10-14(12)17-15(11-16)13-8-3-2-4-9-13/h2-11H,1H3/b15-11+.
What are the key properties of 1-[(E)-2-chloro-1-phenylethenyl]sulfanyl-2-methylbenzene?
1-[(E)-2-chloro-1-phenylethenyl]sulfanyl-2-methylbenzene has a molecular weight of 260.79 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-chloro-1-phenylethenyl]sulfanyl-2-methylbenzene is sourced from PubChem (CID 139262829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).