Basic information
- CAS
5021-52-3- Standard SMILES
Cc1nc2c(=O)[nH]c(=O)[nH]c2s1- InChIKey
QWMHGTYYVXPHSF-UHFFFAOYSA-N- Molecular formula
- C6H5N3O2S
- Average molar mass
- 183.19 g/mol
- Monoisotopic mass
- 183.0102474
Names & identifiers
- Preferred name
- 2-methyl-4H-thiazolo[5,4-d]pyrimidine-5,7-dione
- IUPAC
- 2-methyl-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione
- English name
- 2-methyl-4H-thiazolo[5,4-d]pyrimidine-5,7-dione
- Molecular formula
- C6H5N3O2S
- Molecular weight
- 183.19
Names & synonyms
5021-52-32-methyl-4H-thiazolo[5,4-d]pyrimidine-5,7-dione2-Methylthiazolo[5,4-d]pyrimidine-5,7(4H,6H)-dioneNSC403368SCHEMBL1195067DTXSID30323214QWMHGTYYVXPHSF-UHFFFAOYSA-NMFCD18642541AKOS006370773NSC-403368DA-17413SY346091
Show more names
Thiazolo[5,4-d]pyrimidine-5,7(4H,6H)-dione, 2-methyl-
2-Methyl[1,3]thiazolo[5,4-d]pyrimidine-5,7(4H,6H)-dione2-methyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione
Database identifiers
- CAS
5021-52-3- PubChem CID
- 345642
- DTXSID
DTXSID30323214
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 99.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 245
Physicochemical properties
- Melting point
- 340 °C · >340 °C
- Density
- 1.522 · 1.522±0.06 g/cm3(Predicted)
- pka
- 9.68 · 9.68±0.20(Predicted)
Chemistry & industry
Suppliers3 total
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
湖北偕丰医药科技有限公司2383948258 19172820304 · [email protected]
Related reactions
4 records
Compound notes
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