6-(2-chloroethyl)-7-methyl-5H-(1,3)thiazolo(3,2-a)pyrimidin-5-one

HCID 817872

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Basic information

CAS: 86488-00-8
Standard SMILES: Cc1nc2sccn2c(=O)c1CCCl
InChIKey: SVZSNASRUSJMAF-UHFFFAOYSA-N
Molecular formula: C9H9ClN2OS
Average molar mass: 228.7 g/mol
Monoisotopic mass: 228.01241159

Names & identifiers

Preferred name: 6-(2-chloroethyl)-7-methyl-5H-(1,3)thiazolo(3,2-a)pyrimidin-5-one
IUPAC: 6-(2-chloroethyl)-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Names & synonyms

6-(2-chloroethyl)-7-methyl-5h-[1,3]thiazolo[3,2-a]pyrimidin-5-one6-(2-chloroethyl)-7-methyl-5H-(1,3)thiazolo(3,2-a)pyrimidin-5-oneRefChem:539191853-349-386488-00-86-(2-chloroethyl)-7-methyl-5H-thiazolo[3,2-a]pyrimidin-5-oneMFCD020938035H-Thiazolo[3,2-a]pyrimidin-5-one, 6-(2-chloroethyl)-7-methyl-6-(2-chloroethyl)-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-oneSCHEMBL4497496DTXSID80355868SVZSNASRUSJMAF-UHFFFAOYSA-N

Show more names

LDA48800NCGC00660406-01BS-41673SY173137DB-382861CS-0061204EN300-199680F466698

Database identifiers

CAS: 86488-00-8
PubChem CID: 817872
DTXSID: DTXSID80355868
EC Number: 853-349-3

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 58 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 373

Safety & regulation

GHS classification

GHS Classification · 4 items

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.