Basic information
- CAS
877825-77-9- Standard SMILES
COCc1nc(OC)c2c(C)c(C(=O)O)sc2n1- InChIKey
WEWPTOYLCJSCJK-UHFFFAOYSA-N- Molecular formula
- C11H12N2O4S
- Average molar mass
- 268.29 g/mol
- Monoisotopic mass
- 268.05177804
Names & identifiers
- Preferred name
- 4-Methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
- IUPAC
- 4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
- English name
- 2-CYANO-N-CYCLOPENTYLACETAMIDE
- Molecular formula
- C11H12N2O4S
- Molecular weight
- 268.29
Names & synonyms
4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid877825-77-9HMS1776E11MFCD07847859AKOS027427180SY169974CS-0241768EN300-23774G45301F657608Z1647074044-methoxy-2-(methoxymethyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid
Show more names
2-CYANO-N-CYCLOPENTYLACETAMIDEThieno[2,3-d]pyrimidine-6-carboxylic acid, 4-methoxy-2-(methoxymethyl)-5-methyl-
4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylicacid
Database identifiers
- CAS
877825-77-9- PubChem CID
- 9106586
- EC Number
- 113-440-4
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 317
Physicochemical properties
- storage temp.
- Store at room temperature
- Appearance
- Light yellow to brown Solid
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers3 total
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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