as-Triazine-3-thiol, 5-(2-thienyl)-
Basic information
- CAS
98273-53-1- Standard SMILES
S=c1nc(-c2cccs2)cn[nH]1- InChIKey
GMEFBTFURKGPRD-UHFFFAOYSA-N- Molecular formula
- C7H5N3S2
- Average molar mass
- 195.3 g/mol
- Monoisotopic mass
- 194.99248952
Names & identifiers
- Preferred name
- as-Triazine-3-thiol, 5-(2-thienyl)-
- IUPAC
- 5-thiophen-2-yl-2H-1,2,4-triazine-3-thione
- English name
- 5-(2-thienyl)-as-triazine-3-thio
- Molecular formula
- C7H4N3S2*
- Molecular weight
- 194.25676
Names & synonyms
98273-53-1as-Triazine-3-thiol, 5-(2-thienyl)-BRN 01462675-(2-Thienyl)-as-triazine-3-thiolDTXSID802435394-27-00-09359 (Beilstein Handbook Reference)RefChem:320198DTXCID601660305-(thiophen-2-yl)-1,2,4-triazine-3-thiol5-(Thiophen-2-yl)-1,2,4-triazine-3(2H)-thione5-thiophen-2-yl-2H-1,2,4-triazine-3-thione5-(thiophen-2-yl)-2,3-dihydro-1,2,4-triazine-3-thione
Show more names
5-(2-thienyl)-as-triazine-3-thio5-[2]thienyl-2H-[1,2,4]triazine-3-thione
SCHEMBL16137341HMS1751A21YDA27353AKOS027381210SB73512NCGC00663409-01CS-0232990EN300-12993
Database identifiers
- CAS
98273-53-1- PubChem CID
- 3062525
- DTXSID
DTXSID80243539- Nikkaji
- J91.047C
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 97.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 259
Physicochemical properties
- EWG's Food Scores
- 1 · 1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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