thiophene carbonate

C5H4O3S-2 — CID 21423732

IUPACthiophene carbonate
SMILESO=C([O-])[O-].c1ccsc1
InChIInChI=1S/C4H4S.CH2O3/c1-2-4-5-3-1;2-1(3)4/h1-4H;(H2,2,3,4)/p-2
InChIKeyWSJWRCJXYVSQDJ-UHFFFAOYSA-L
MW144.15 g/mol
LogP-0.70
Rot. Bonds

About thiophene carbonate

thiophene carbonate (PubChem CID 21423732) has the molecular formula C5H4O3S-2 and a molecular weight of 144.15 g/mol. Its IUPAC name is thiophene carbonate.

Molecular Properties

Compound Namethiophene carbonate
PubChem CID21423732
Molecular FormulaC5H4O3S-2
Molecular Weight144.15 g/mol
Exact Mass143.99
IUPAC Namethiophene carbonate
SMILESO=C([O-])[O-].c1ccsc1
InChIInChI=1S/C4H4S.CH2O3/c1-2-4-5-3-1;2-1(3)4/h1-4H;(H2,2,3,4)/p-2
InChIKeyWSJWRCJXYVSQDJ-UHFFFAOYSA-L
XLogP-0.70
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.15
LogP ≤ 5-0.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-2-oxoacetate;thiophene
CID 19417617
2-hydroxyacetate;thiophene
CID 22006032
thiophene
CID 66625890
oxaldehydic acid;thiophene
CID 87627867
thiophene;dihydrofluoride
CID 175081448
phosphane;thiophene
CID 162184194
lanthanum;thiophene
CID 175346926
formaldehyde;thiophene;zinc
CID 174449094
oxaldehydic acid;thiophene;hydrate
CID 174531375
sulfoformic acid;thiophene
CID 159730608
ethene;thiophene
CID 175431475
(2S)-2-aminopropanoic acid;thiophene
CID 22940584

Frequently Asked Questions

What is the IUPAC name of thiophene carbonate?
The IUPAC name of thiophene carbonate (CID 21423732) is thiophene carbonate.
What is the SMILES notation for thiophene carbonate?
The canonical SMILES for thiophene carbonate is O=C([O-])[O-].c1ccsc1.
What is the InChIKey of thiophene carbonate?
The InChIKey is WSJWRCJXYVSQDJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H4S.CH2O3/c1-2-4-5-3-1;2-1(3)4/h1-4H;(H2,2,3,4)/p-2.
What are the key properties of thiophene carbonate?
thiophene carbonate has a molecular weight of 144.15 g/mol, XLogP of -0.70, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thiophene carbonate is sourced from PubChem (CID 21423732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).