Basic information
- CAS
6966-57-0- Standard SMILES
CC1(C)CC(C)(O)NC(S)N1- InChIKey
HMSWFBXXGOMYTB-UHFFFAOYSA-N- Molecular formula
- C7H16N2OS
- Average molar mass
- 176.28 g/mol
- Monoisotopic mass
- 176.09833431
Overview
See also: 2-Mercapto-4,6,6-trimethylhexahydropyrimidin-4-OL (annotation moved to).
Names & identifiers
- Preferred name
- 4,6,6-Trimethyl-2-sulfanylhexahydropyrimidin-4-ol
- IUPAC
- 4,6,6-trimethyl-2-sulfanyl-1,3-diazinan-4-ol
Names & synonyms
6966-57-04,6,6-trimethyl-2-sulfanyl-1,3-diazinan-4-ol4,6,6-trimethyl-2-sulfanylhexahydropyrimidin-4-olNSC68039DTXSID80290326NSC-68039AKOS024334000ST505481682-mercapto-4,6,6-trimethylhexahydro-4-pyrimidinol
Database identifiers
- CAS
6966-57-0- PubChem CID
- 249591
- DTXSID
DTXSID80290326
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 163
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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