(Z)-1,3-bis(5-chlorothiophen-2-yl)prop-2-en-1-one

C11H6Cl2OS2 — CID 92532745

IUPAC(Z)-1,3-bis(5-chlorothiophen-2-yl)prop-2-en-1-one
SMILESO=C(/C=C\c1ccc(Cl)s1)c1ccc(Cl)s1
InChIInChI=1S/C11H6Cl2OS2/c12-10-5-2-7(15-10)1-3-8(14)9-4-6-11(13)16-9/h1-6H/b3-1-
InChIKeySWOYNTHAVGKVJZ-IWQZZHSRSA-N
MW289.21 g/mol
LogP5.01
Rot. Bonds3

About (Z)-1,3-bis(5-chlorothiophen-2-yl)prop-2-en-1-one

(Z)-1,3-bis(5-chlorothiophen-2-yl)prop-2-en-1-one (PubChem CID 92532745) has the molecular formula C11H6Cl2OS2 and a molecular weight of 289.21 g/mol. Its IUPAC name is (Z)-1,3-bis(5-chlorothiophen-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1,3-bis(5-chlorothiophen-2-yl)prop-2-en-1-one
PubChem CID92532745
Molecular FormulaC11H6Cl2OS2
Molecular Weight289.21 g/mol
Exact Mass287.92
IUPAC Name(Z)-1,3-bis(5-chlorothiophen-2-yl)prop-2-en-1-one
SMILESO=C(/C=C\c1ccc(Cl)s1)c1ccc(Cl)s1
InChIInChI=1S/C11H6Cl2OS2/c12-10-5-2-7(15-10)1-3-8(14)9-4-6-11(13)16-9/h1-6H/b3-1-
InChIKeySWOYNTHAVGKVJZ-IWQZZHSRSA-N
XLogP5.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.21
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1,3-bis(5-chlorothiophen-2-yl)prop-2-en-1-one?
The IUPAC name of (Z)-1,3-bis(5-chlorothiophen-2-yl)prop-2-en-1-one (CID 92532745) is (Z)-1,3-bis(5-chlorothiophen-2-yl)prop-2-en-1-one.
What is the SMILES notation for (Z)-1,3-bis(5-chlorothiophen-2-yl)prop-2-en-1-one?
The canonical SMILES for (Z)-1,3-bis(5-chlorothiophen-2-yl)prop-2-en-1-one is O=C(/C=C\c1ccc(Cl)s1)c1ccc(Cl)s1.
What is the InChIKey of (Z)-1,3-bis(5-chlorothiophen-2-yl)prop-2-en-1-one?
The InChIKey is SWOYNTHAVGKVJZ-IWQZZHSRSA-N. The full InChI is InChI=1S/C11H6Cl2OS2/c12-10-5-2-7(15-10)1-3-8(14)9-4-6-11(13)16-9/h1-6H/b3-1-.
What are the key properties of (Z)-1,3-bis(5-chlorothiophen-2-yl)prop-2-en-1-one?
(Z)-1,3-bis(5-chlorothiophen-2-yl)prop-2-en-1-one has a molecular weight of 289.21 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,3-bis(5-chlorothiophen-2-yl)prop-2-en-1-one is sourced from PubChem (CID 92532745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).