Basic information
- CAS
120602-28-0- Standard SMILES
NC(=S)Nn1nc2n(c1=O)CCCN2- InChIKey
VJIJSJKISRXBMY-UHFFFAOYSA-N- Molecular formula
- C6H10N6OS
- Average molar mass
- 214.25 g/mol
- Monoisotopic mass
- 214.06368014
Names & identifiers
- Preferred name
- Thiourea, N-(2,3,5,6,7,8-hexahydro-3-oxo-1,2,4-triazolo(4,3-a)pyrimidin-2-yl)-
- IUPAC
- (3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)thiourea
Names & synonyms
Thiourea, N-(2,3,5,6,7,8-hexahydro-3-oxo-1,2,4-triazolo(4,3-a)pyrimidin-2-yl)-Thiourea, (1,5,6,7-tetrahydro-3-oxo-1,2,4-triazolo(4,3-a)pyrimidin-2(3H)-yl)-120602-28-0N-(2,3,5,6,7,8-Hexahydro-3-oxo-1,2,4-triazolo(4,3-a)pyrimidin-2-yl)thioureaDTXSID70152929RefChem:385436DTXCID7075420N-(3-Oxo-1,5,6,7-tetrahydro[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl)thiourea
Database identifiers
- CAS
120602-28-0- PubChem CID
- 3078298
- DTXSID
DTXSID70152929
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 315
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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