chloro benzoate;thiophene

C11H9ClO2S — CID 175145000

IUPACchloro benzoate;thiophene
SMILESO=C(OCl)c1ccccc1.c1ccsc1
InChIInChI=1S/C7H5ClO2.C4H4S/c8-10-7(9)6-4-2-1-3-5-6;1-2-4-5-3-1/h1-5H;1-4H
InChIKeyQQBRSQFQIPAARN-UHFFFAOYSA-N
MW240.71 g/mol
LogP3.75
Rot. Bonds1

About chloro benzoate;thiophene

chloro benzoate;thiophene (PubChem CID 175145000) has the molecular formula C11H9ClO2S and a molecular weight of 240.71 g/mol. Its IUPAC name is chloro benzoate;thiophene.

Molecular Properties

Compound Namechloro benzoate;thiophene
PubChem CID175145000
Molecular FormulaC11H9ClO2S
Molecular Weight240.71 g/mol
Exact Mass240.00
IUPAC Namechloro benzoate;thiophene
SMILESO=C(OCl)c1ccccc1.c1ccsc1
InChIInChI=1S/C7H5ClO2.C4H4S/c8-10-7(9)6-4-2-1-3-5-6;1-2-4-5-3-1/h1-5H;1-4H
InChIKeyQQBRSQFQIPAARN-UHFFFAOYSA-N
XLogP3.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.71
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzenecarboperoxoic acid;thiophene
CID 174655915
chloro acetate;chloro benzoate
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chloro benzoate;prop-2-enoic acid
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benzamide;thiophene
CID 67043300
phenyl acetate;thiophene
CID 174909325
phenyl carbamate;thiophene
CID 18406692
chloro 4-chlorobenzoate
CID 67325757
argon;benzoyl benzenecarboperoxoate
CID 161437596
benzoyl benzenecarboperoxoate;hydron
CID 20524010
CID 19766641
CID 19766641
benzoyloxy(chloro)mercury
CID 70255792
benzoyl thiophene-2-carboxylate
CID 174319053

Frequently Asked Questions

What is the IUPAC name of chloro benzoate;thiophene?
The IUPAC name of chloro benzoate;thiophene (CID 175145000) is chloro benzoate;thiophene.
What is the SMILES notation for chloro benzoate;thiophene?
The canonical SMILES for chloro benzoate;thiophene is O=C(OCl)c1ccccc1.c1ccsc1.
What is the InChIKey of chloro benzoate;thiophene?
The InChIKey is QQBRSQFQIPAARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClO2.C4H4S/c8-10-7(9)6-4-2-1-3-5-6;1-2-4-5-3-1/h1-5H;1-4H.
What are the key properties of chloro benzoate;thiophene?
chloro benzoate;thiophene has a molecular weight of 240.71 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro benzoate;thiophene is sourced from PubChem (CID 175145000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).