Basic information
- CAS
90370-38-0- Standard SMILES
COC(OC)c1cc(=O)[nH]c(=S)[nH]1- InChIKey
VNDSDTFFQWATLN-UHFFFAOYSA-N- Molecular formula
- C7H10N2O3S
- Average molar mass
- 202.23 g/mol
- Monoisotopic mass
- 202.04121336
Names & identifiers
- Preferred name
- 6-(Dimethoxymethyl)-2-mercaptopyrimidin-4-OL
- IUPAC
- 6-(dimethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one
- English name
- 6-(Dimethoxymethyl)-2-mercaptopyrimidin-4-ol
- Molecular formula
- C7H10N2O3S
- Molecular weight
- 202.23
Names & synonyms
90370-38-06-(DIMETHOXYMETHYL)-2-MERCAPTOPYRIMIDIN-4-OL4-(Dimethoxymethyl)-6-hydroxy-2-thiopyrimidineMFCD006627046-(dimethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one4-(Dimethoxymethyl)-6-hydroxypyrimidine-2-thiolNSC154917Maybridge1_0088196-(dimethoxymethyl)-2-sulfanylpyrimidin-4-olSCHEMBL6929765HMS566I19DTXSID10371192
Show more names
4(1H)-Pyrimidinone, 6-(dimethoxymethyl)-2,3-dihydro-2-thioxo-4-(Dimethoxymethyl)-6-hydroxypyrimidine-2-thiol, 6-(Dimethoxymethyl)-2-sulphanylpyrimidin-4-ol
SBB092948SPB 04930AKOS027381668NSC-154917PS-11481DB-015484CS-0360910H54698
Database identifiers
- CAS
90370-38-0- PubChem CID
- 2736189
- DTXSID
DTXSID10371192
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- 7.4 · 7.40±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 271 · P271-P261-P280
- HS Code
- 2933599590 · 2933599590
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
- hs_code
- 2933599590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P271-P261-P280
Chemistry & industry
Suppliers5 total
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
天津泛德科技发展有限公司15620920485; 15620920485 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…