delta(sup 2)-1,2,4-Triazoline-5-thione, 1,4-bis(hydroxymethyl)-
Basic information
- CAS
32550-67-7- Standard SMILES
OCn1cnn(CO)c1=S- InChIKey
DZTHSPZBXMIXOH-UHFFFAOYSA-N- Molecular formula
- C4H7N3O2S
- Average molar mass
- 161.19 g/mol
- Monoisotopic mass
- 161.02589765
Names & identifiers
- Preferred name
- delta(sup 2)-1,2,4-Triazoline-5-thione, 1,4-bis(hydroxymethyl)-
- IUPAC
- 2,4-bis(hydroxymethyl)-1,2,4-triazole-3-thione
- English name
- 1,4-Bis(hydroxymethyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione
- Molecular weight
- 0
Names & synonyms
32550-67-7delta(sup 2)-1,2,4-Triazoline-5-thione, 1,4-bis(hydroxymethyl)-RefChem:10830922,4-bis(hydroxymethyl)-2,4-dihydro-3h-1,2,4-triazole-3-thione2,4-bis(hydroxymethyl)-1,2,4-triazole-3-thioneBRN 11028451,4-Dihydroxymethyl-delta(sup 2)-1,2,4-triazoline-5-thioneOprea1_402857DTXSID40954290MFCD01678448AKOS0062304711,4-Bis(hydroxymethyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione
Database identifiers
- CAS
32550-67-7- PubChem CID
- 208602
- DTXSID
DTXSID40954290- Nikkaji
- J91.095C
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 91.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 172
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Related reactions
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Compound notes
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