S-hydroxy thiophene-2-carbothioate

C5H4O2S2 — CID 134893534

IUPACS-hydroxy thiophene-2-carbothioate
SMILESO=C(SO)c1cccs1
InChIInChI=1S/C5H4O2S2/c6-5(9-7)4-2-1-3-8-4/h1-3,7H
InChIKeyVRWSUOGNLDKTTG-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.09
Rot. Bonds1

About S-hydroxy thiophene-2-carbothioate

S-hydroxy thiophene-2-carbothioate (PubChem CID 134893534) has the molecular formula C5H4O2S2 and a molecular weight of 160.22 g/mol. Its IUPAC name is S-hydroxy thiophene-2-carbothioate.

Molecular Properties

Compound NameS-hydroxy thiophene-2-carbothioate
PubChem CID134893534
Molecular FormulaC5H4O2S2
Molecular Weight160.22 g/mol
Exact Mass159.97
IUPAC NameS-hydroxy thiophene-2-carbothioate
SMILESO=C(SO)c1cccs1
InChIInChI=1S/C5H4O2S2/c6-5(9-7)4-2-1-3-8-4/h1-3,7H
InChIKeyVRWSUOGNLDKTTG-UHFFFAOYSA-N
XLogP2.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1,2,2-trithiophen-2-ylethenyl)thiophene
CID 15249530
thiophene-2-carboxylic acid;dihydrochloride
CID 142681507
CID 11204853
CID 11204853
oxido(thiophene-2-carbonyl)azanium
CID 141173864
formaldehyde;thiophene-2-carboxylic acid
CID 158716916
sodium thiophene-2-carboxylate
CID 23672340
formyl thiophene-2-carboxylate
CID 22645353
dithiophen-2-ylmethanone;2-thiophen-2-ylthiophene
CID 161486915
oxo(thiophen-2-yl)methanesulfinic acid
CID 175422247
2-oxo-2-thiophen-2-ylacetaldehyde
CID 5272214
S-(2-acetylphenyl) thiophene-2-carbothioate
CID 154710778
azane;formyl thiophene-2-carboxylate
CID 174676100

Frequently Asked Questions

What is the IUPAC name of S-hydroxy thiophene-2-carbothioate?
The IUPAC name of S-hydroxy thiophene-2-carbothioate (CID 134893534) is S-hydroxy thiophene-2-carbothioate.
What is the SMILES notation for S-hydroxy thiophene-2-carbothioate?
The canonical SMILES for S-hydroxy thiophene-2-carbothioate is O=C(SO)c1cccs1.
What is the InChIKey of S-hydroxy thiophene-2-carbothioate?
The InChIKey is VRWSUOGNLDKTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4O2S2/c6-5(9-7)4-2-1-3-8-4/h1-3,7H.
What are the key properties of S-hydroxy thiophene-2-carbothioate?
S-hydroxy thiophene-2-carbothioate has a molecular weight of 160.22 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for S-hydroxy thiophene-2-carbothioate is sourced from PubChem (CID 134893534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).