Basic information
- CAS
847560-46-7- Standard SMILES
CCOC(=O)c1cc2c(Cl)nc(N)nc2s1- InChIKey
RVSQDXBPGDMBIQ-UHFFFAOYSA-N- Molecular formula
- C9H8ClN3O2S
- Average molar mass
- 257.7 g/mol
- Monoisotopic mass
- 257.00257518
Names & identifiers
- Preferred name
- Ethyl 2-amino-4-chlorothieno(2,3-d)pyrimidine-6-carboxylate
- IUPAC
- ethyl 2-amino-4-chlorothieno[2,3-d]pyrimidine-6-carboxylate
- English name
- ethyl 2-amino-4-chlorothieno[2,3-d]pyrimidine-6-carboxylate
- Molecular formula
- C9H8ClN3O2S
- Molecular weight
- 257.7
Names & synonyms
ethyl 2-amino-4-chlorothieno[2,3-d]pyrimidine-6-carboxylate847560-46-7DTXSID30582526Ethyl 2-amino-4-chlorothieno(2,3-d)pyrimidine-6-carboxylateRefChem:342620DTXCID90533291692-634-5MFCD180742872-Amino-4-chloro-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl esterSCHEMBL1424692RVSQDXBPGDMBIQ-UHFFFAOYSA-NEthyl 2-amino-4-chlorothieno[2,3-d]-pyrimidine-6-carboxylate
Show more names
Thieno[2,3-d]pyrimidine-6-carboxylic acid, 2-amino-4-chloro-, ethyl ester
AKOS015991549MF-0711SB16440SY229937DB-297367DB-338078CS-0096041F12780
Database identifiers
- CAS
847560-46-7- PubChem CID
- 16096301
- DTXSID
DTXSID30582526- EC Number
- 692-634-5
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 281
Physicochemical properties
- Melting point
- 249 · 249-252℃ (N,N-dimethylformamide water )
- Density
- 1.532 · 1.532±0.06 g/cm3 (20 ºC 760 Torr)
- storage temp.
- 2 · 2-8°C
- form
- solid
- color
- yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 271 · P271-P261-P280
- HS Code
- 2930909899 · 2930909899
Safety & regulation
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, P317, 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%)
Safety data
- hs_code
- 2930909899
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P271-P261-P280
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers16 total
郑州鸿尚科技有限公司0371-55932928 18937192232
Xunteng International Trading Co.,Limited—
南京宏望医药科技有限公司15366073145 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
上海超岚化工科技中心QQ：65489617 13301690235 · [email protected]
华诺医药科技(广西)有限公司13005928603 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Related reactions
12 records
Compound notes
Loading…