2(1H)-Pyrimidinethione, tetrahydro-1,3-dimethyl-
Basic information
- CAS
16597-35-6- Standard SMILES
CN1CCCN(C)C1=S- InChIKey
JILASYJQVXOLSP-UHFFFAOYSA-N- Molecular formula
- C6H12N2S
- Average molar mass
- 144.24 g/mol
- Monoisotopic mass
- 144.07211956
Names & identifiers
- Preferred name
- 2(1H)-Pyrimidinethione, tetrahydro-1,3-dimethyl-
- IUPAC
- 1,3-dimethyl-1,3-diazinane-2-thione
- English name
- Nndimethyltrimethylenethiourea
- Molecular formula
- C6H12N2S
- Molecular weight
- 144.24
Names & synonyms
2(1H)-PYRIMIDINETHIONE, TETRAHYDRO-1,3-DIMETHYL-N,N'-DimethyltrimethylenethioureaBRN 0742227Tetrahydro-1,3-dimethyl-2(1H)-pyrimidinethione1,3-dimethyltetrahydropyrimidine-2(1H)-thioneDTXSID201680555-24-01-00209 (Beilstein Handbook Reference)2-PYRIMIDINETHIONE,TETRAHYDRO,1,3-DIMETHYLRefChem:80451DTXCID0090546InChI=1/C6H12N2S/c1-7-4-3-5-8(2)6(7)9/h3-5H2,1-2HJILASYJQVXOLSP-UHFFFAOYSA-N
Show more names
1,3-Dimethylhexahydropyrimidine-2-thione3,4,5,6-Tetrahydro-1,3-dimethyl-2(1H)-pyrimidinethione
1,3-dimethyl-1,3-diazinane-2-thione16597-35-6CHEMBL11683SCHEMBL114247331,3-Dimethyltetrahydro-2(1H)-pyrimidinethione1,3-Dimethyltetrahydro-2(1H)-pyrimidinethione #
Database identifiers
- CAS
16597-35-6- PubChem CID
- 27947
- DTXSID
DTXSID20168055- ChEMBL
CHEMBL11683- Nikkaji
- J51.410A
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 38.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 112
Physicochemical properties
- Melting point
- 78 °C · 78 °C
- Boiling point
- 296.1 · 296.1±7.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- pka
- 1.5 · 1.50±0.20(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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