Basic information
- CAS
100003-81-4- Standard SMILES
Cc1csc2nc(CCl)cc(=O)n12- InChIKey
CTOHNLKENNHCNA-UHFFFAOYSA-N- Molecular formula
- C8H7ClN2OS
- Average molar mass
- 214.67 g/mol
- Monoisotopic mass
- 213.99676152
Names & identifiers
- Preferred name
- 7-(chloromethyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
- IUPAC
- 7-(chloromethyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
- English name
- 7-(Chloromethyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
- Molecular formula
- C8H7ClN2OS
- Molecular weight
- 214.67
Names & synonyms
7-(chloromethyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one100003-81-4DTXSID404022817-(chloromethyl)-3-methyl-5H-(1,3)thiazolo(3,2-a)pyrimidin-5-one7-(chloromethyl)-3-methyl-5H-(1,3]thiazolo[3,2-a]pyrimidin-5-oneRefChem:310159DTXCID70353136874-337-47-(chloromethyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-oneMFCD066550257-(chloromethyl)-3-methyl-5H-thiazolo[3,2-a]pyrimidin-5-one7-(Chloromethyl)-3-methyl-5H-[1,3]thiazolo-[3,2-a]pyrimidin-5-one
Show more names
IVK/0002950ZINC038875155H-Thiazolo[3,2-a]pyrimidin-5-one, 7-(chloromethyl)-3-methyl-
SCHEMBL636234CTOHNLKENNHCNA-UHFFFAOYSA-NALBB-002339BBL013689STK409067AKOS000118674SY131954VS-03940
Database identifiers
- CAS
100003-81-4- PubChem CID
- 4354134
- DTXSID
DTXSID40402281- EC Number
- 874-337-4
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 58 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 359
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 315 · H315-H318-H335-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H318-H335-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Chemistry & industry
Suppliers5 total
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
16 records
Compound notes
Loading…