(2,4-dichlorothiophen-3-yl) acetate

C6H4Cl2O2S — CID 174524447

IUPAC(2,4-dichlorothiophen-3-yl) acetate
SMILESCC(=O)Oc1c(Cl)csc1Cl
InChIInChI=1S/C6H4Cl2O2S/c1-3(9)10-5-4(7)2-11-6(5)8/h2H,1H3
InChIKeyQPKAINBKNDQQDI-UHFFFAOYSA-N
MW211.07 g/mol
LogP2.98
Rot. Bonds1

About (2,4-dichlorothiophen-3-yl) acetate

(2,4-dichlorothiophen-3-yl) acetate (PubChem CID 174524447) has the molecular formula C6H4Cl2O2S and a molecular weight of 211.07 g/mol. Its IUPAC name is (2,4-dichlorothiophen-3-yl) acetate.

Molecular Properties

Compound Name(2,4-dichlorothiophen-3-yl) acetate
PubChem CID174524447
Molecular FormulaC6H4Cl2O2S
Molecular Weight211.07 g/mol
Exact Mass209.93
IUPAC Name(2,4-dichlorothiophen-3-yl) acetate
SMILESCC(=O)Oc1c(Cl)csc1Cl
InChIInChI=1S/C6H4Cl2O2S/c1-3(9)10-5-4(7)2-11-6(5)8/h2H,1H3
InChIKeyQPKAINBKNDQQDI-UHFFFAOYSA-N
XLogP2.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.07
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-acetyloxy-3,4,5,6-tetrachlorophenyl) acetate
CID 619084
(2,4-diacetyloxy-3,5-dichlorophenyl) acetate
CID 100914001
(2,3-dichloro-6-methylphenyl) acetate
CID 59058146
(4-chloro-2-fluorothiophen-3-yl) carbamate
CID 175376629
(3-chloro-2,6-difluorophenyl) acetate
CID 134561952
[4-(aminomethyl)-2,6-dichlorophenyl] acetate
CID 174895620
(4-bromo-2-chloro-6-methylphenyl) acetate
CID 130685721
(2,6-dichloro-3-methoxyphenyl) acetate
CID 57203396
[2-[(2-acetyloxy-3,5,6-trichlorophenyl)methyl]-3,4,6-trichlorophenyl] acetate
CID 95559504
(4-amino-2-chloro-6-methylphenyl) acetate
CID 143294448
(2,6-dichloro-4-nitrophenyl) acetate
CID 53440733
(5-chloro-3-phenyl-1,2-thiazol-4-yl) acetate
CID 121219116

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorothiophen-3-yl) acetate?
The IUPAC name of (2,4-dichlorothiophen-3-yl) acetate (CID 174524447) is (2,4-dichlorothiophen-3-yl) acetate.
What is the SMILES notation for (2,4-dichlorothiophen-3-yl) acetate?
The canonical SMILES for (2,4-dichlorothiophen-3-yl) acetate is CC(=O)Oc1c(Cl)csc1Cl.
What is the InChIKey of (2,4-dichlorothiophen-3-yl) acetate?
The InChIKey is QPKAINBKNDQQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2O2S/c1-3(9)10-5-4(7)2-11-6(5)8/h2H,1H3.
What are the key properties of (2,4-dichlorothiophen-3-yl) acetate?
(2,4-dichlorothiophen-3-yl) acetate has a molecular weight of 211.07 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorothiophen-3-yl) acetate is sourced from PubChem (CID 174524447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).