2-chloro-5-[(Z)-1-chloro-2-phenylethenyl]thiophene

C12H8Cl2S — CID 102405050

IUPAC2-chloro-5-[(Z)-1-chloro-2-phenylethenyl]thiophene
SMILESCl/C(=C\c1ccccc1)c1ccc(Cl)s1
InChIInChI=1S/C12H8Cl2S/c13-10(11-6-7-12(14)15-11)8-9-4-2-1-3-5-9/h1-8H/b10-8-
InChIKeyKDPNIWVZYQIFPV-NTMALXAHSA-N
MW255.17 g/mol
LogP5.14
Rot. Bonds2

About 2-chloro-5-[(Z)-1-chloro-2-phenylethenyl]thiophene

2-chloro-5-[(Z)-1-chloro-2-phenylethenyl]thiophene (PubChem CID 102405050) has the molecular formula C12H8Cl2S and a molecular weight of 255.17 g/mol. Its IUPAC name is 2-chloro-5-[(Z)-1-chloro-2-phenylethenyl]thiophene.

Molecular Properties

Compound Name2-chloro-5-[(Z)-1-chloro-2-phenylethenyl]thiophene
PubChem CID102405050
Molecular FormulaC12H8Cl2S
Molecular Weight255.17 g/mol
Exact Mass253.97
IUPAC Name2-chloro-5-[(Z)-1-chloro-2-phenylethenyl]thiophene
SMILESCl/C(=C\c1ccccc1)c1ccc(Cl)s1
InChIInChI=1S/C12H8Cl2S/c13-10(11-6-7-12(14)15-11)8-9-4-2-1-3-5-9/h1-8H/b10-8-
InChIKeyKDPNIWVZYQIFPV-NTMALXAHSA-N
XLogP5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.17
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(Z)-1-chloro-2-phenylethenyl]thiophene?
The IUPAC name of 2-chloro-5-[(Z)-1-chloro-2-phenylethenyl]thiophene (CID 102405050) is 2-chloro-5-[(Z)-1-chloro-2-phenylethenyl]thiophene.
What is the SMILES notation for 2-chloro-5-[(Z)-1-chloro-2-phenylethenyl]thiophene?
The canonical SMILES for 2-chloro-5-[(Z)-1-chloro-2-phenylethenyl]thiophene is Cl/C(=C\c1ccccc1)c1ccc(Cl)s1.
What is the InChIKey of 2-chloro-5-[(Z)-1-chloro-2-phenylethenyl]thiophene?
The InChIKey is KDPNIWVZYQIFPV-NTMALXAHSA-N. The full InChI is InChI=1S/C12H8Cl2S/c13-10(11-6-7-12(14)15-11)8-9-4-2-1-3-5-9/h1-8H/b10-8-.
What are the key properties of 2-chloro-5-[(Z)-1-chloro-2-phenylethenyl]thiophene?
2-chloro-5-[(Z)-1-chloro-2-phenylethenyl]thiophene has a molecular weight of 255.17 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(Z)-1-chloro-2-phenylethenyl]thiophene is sourced from PubChem (CID 102405050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).