Basic information
- CAS
99352-94-0- Standard SMILES
CC1=C(CCO)SC2Nc3nc(C)ncc3C(=O)N12- InChIKey
SFFBMQWMODQHNO-UHFFFAOYSA-N- Molecular formula
- C12H14N4O2S
- Average molar mass
- 278.33 g/mol
- Monoisotopic mass
- 278.08374688
Overview
RN from Toxlit; inhibits thiamine diphosphate dependent enzymes
Names & identifiers
- Preferred name
- Oxodihydrothiochrome
- IUPAC
- 5-(2-hydroxyethyl)-6,12-dimethyl-4-thia-2,7,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(13),5,9,11-tetraen-8-one
- English name
- oxodihydrothiochrome
- Molecular formula
- C12H14N4O2S
- Molecular weight
- 278.33016
Names & synonyms
Oxodihydrothiochrome99352-94-0RefChem:168973DTXSID009127355-(2-hydroxyethyl)-6,12-dimethyl-4-thia-2,7,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(13),5,9,11-tetraen-8-one8-(2-Hydroxyethyl)-2,7-dimethyl-9a,10-dihydro-5H-pyrimido[4,5-d][1,3]thiazolo[3,2-a]pyrimidin-5-onePubChem ID: 196353
Database identifiers
- CAS
99352-94-0- PubChem CID
- 196353
- DTXSID
DTXSID00912735
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 428
Chemistry & industry
Suppliers1 total
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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