CID 172994739

C10H7O2S — CID 172994739

IUPAC—
SMILESO=C(O[C]1[CH][CH][CH][CH]1)c1cccs1
InChIInChI=1S/C10H7O2S/c11-10(9-6-3-7-13-9)12-8-4-1-2-5-8/h1-7H
InChIKeyYHUOQVTZRJMVKI-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.27
Rot. Bonds2

About CID 172994739

CID 172994739 (PubChem CID 172994739) has the molecular formula C10H7O2S and a molecular weight of 191.23 g/mol.

Molecular Properties

Compound NameCID 172994739
PubChem CID172994739
Molecular FormulaC10H7O2S
Molecular Weight191.23 g/mol
Exact Mass191.02
IUPAC Name—
SMILESO=C(O[C]1[CH][CH][CH][CH]1)c1cccs1
InChIInChI=1S/C10H7O2S/c11-10(9-6-3-7-13-9)12-8-4-1-2-5-8/h1-7H
InChIKeyYHUOQVTZRJMVKI-UHFFFAOYSA-N
XLogP2.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(thiophene-2-carbonyloxy)phenyl] thiophene-2-carboxylate
CID 811680
[4-(thiophene-2-carbonyloxy)thieno[2,3-f][1]benzothiol-8-yl] thiophene-2-carboxylate
CID 138716201
(2,6-dimethylphenyl) thiophene-2-carboxylate
CID 23010851
(4-fluorophenyl) thiophene-2-carboxylate
CID 573740
formyl thiophene-2-carboxylate
CID 22645353
aminomethyl thiophene-2-carboxylate
CID 142796710
(3-hydroxyphenyl) thiophene-2-carboxylate
CID 91704925
(2-phenylphenyl) thiophene-2-carboxylate
CID 922979
azane;formyl thiophene-2-carboxylate
CID 174676100
(4-chloro-3,5-dimethylphenyl) thiophene-2-carboxylate
CID 718567
(2,4-dimethylphenyl) thiophene-2-carboxylate
CID 13404169
benzoyl thiophene-2-carboxylate
CID 174319053

Frequently Asked Questions

What is the IUPAC name of CID 172994739?
The IUPAC name of CID 172994739 (CID 172994739) is not available.
What is the SMILES notation for CID 172994739?
The canonical SMILES for CID 172994739 is O=C(O[C]1[CH][CH][CH][CH]1)c1cccs1.
What is the InChIKey of CID 172994739?
The InChIKey is YHUOQVTZRJMVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7O2S/c11-10(9-6-3-7-13-9)12-8-4-1-2-5-8/h1-7H.
What are the key properties of CID 172994739?
CID 172994739 has a molecular weight of 191.23 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172994739 is sourced from PubChem (CID 172994739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).