5-(2-Hydroxypropyl)-1,3,5-triazinane-2-thione
Basic information
- CAS
89138-39-6- Standard SMILES
CC(O)CN1CNC(=S)NC1- InChIKey
ULYPWWYAPKRHNU-UHFFFAOYSA-N- Molecular formula
- C6H13N3OS
- Average molar mass
- 175.25 g/mol
- Monoisotopic mass
- 175.07793322
Overview
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Names & identifiers
- Preferred name
- 5-(2-Hydroxypropyl)-1,3,5-triazinane-2-thione
- IUPAC
- 5-(2-hydroxypropyl)-1,3,5-triazinane-2-thione
- English name
- 5-(2-hydroxypropyl)-1,3,5-triazinane-2-thione
- Molecular formula
- C6H13N3OS
- Molecular weight
- 175.25192
Names & synonyms
5-(2-hydroxypropyl)-1,3,5-triazinane-2-thione89138-39-6HMS551C06NSC319455Maybridge1_003394Oprea1_446293SCHEMBL9614504DTXSID10384520AKOS024335479NSC-319455
Database identifiers
- CAS
89138-39-6- PubChem CID
- 2806803
- DTXSID
DTXSID10384520
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 79.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 143
Physicochemical properties
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 335 · H335-H300-H315-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P310-P321-P330-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H335-H300-H315-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P310-P321-P330-P405-P501
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Related reactions
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Compound notes
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