Basic information
- CAS
107072-30-0- Standard SMILES
COc1ccc(-c2cc(C)[nH]c(=S)n2)cc1- InChIKey
MVSRDCNZGBIDCH-UHFFFAOYSA-N- Molecular formula
- C12H12N2OS
- Average molar mass
- 232.3 g/mol
- Monoisotopic mass
- 232.06703418
Names & identifiers
- Preferred name
- 4-(4-Methoxyphenyl)-6-methylpyrimidine-2-thiol
- IUPAC
- 4-(4-methoxyphenyl)-6-methyl-1H-pyrimidine-2-thione
Names & synonyms
4-(4-methoxyphenyl)-6-methylpyrimidine-2-thiolDTXSID70910228RefChem:1069971DTXCID001339280107072-30-02-Mercapto-4-(methoxyphenyl)-6-methylpyrimidine4-(Methoxyphenyl)-6-methyl-2(1H)-pyrimidinethione2(1H)-Pyrimidinethione, 4-(methoxyphenyl)-6-methyl-4-(4-methoxyphenyl)-6-methyl-1H-pyrimidine-2-thioneSBB059745STK399125AKOS001610894
Show more names
AKOS002284042AKOS022429673CCG-303934EU-0003200ST508080964-(4-methoxyphenyl)-6-methyl-2-pyrimidinethiol6-(4-methoxyphenyl)-4-methylpyrimidine-2-thiolAB00087044-01
Database identifiers
- CAS
107072-30-0- PubChem CID
- 736367
- DTXSID
DTXSID70910228
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 65.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 341
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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