Basic information
- CAS
721418-94-6- Standard SMILES
COCCCn1c(CCl)csc1=Nc1cccc(Cl)c1- InChIKey
VGWKYSJIBOLPFG-UHFFFAOYSA-N- Molecular formula
- C14H16Cl2N2OS
- Average molar mass
- 331.3 g/mol
- Monoisotopic mass
- 330.0360397
Names & identifiers
- Preferred name
- 4-(chloromethyl)-N-(3-chlorophenyl)-3-(3-methoxypropyl)-2,3-dihydro-1,3-thiazol-2-imine
- IUPAC
- 4-(chloromethyl)-N-(3-chlorophenyl)-3-(3-methoxypropyl)-1,3-thiazol-2-imine
Names & synonyms
721418-94-64-(chloromethyl)-N-(3-chlorophenyl)-3-(3-methoxypropyl)-2,3-dihydro-1,3-thiazol-2-imineRefChem:515654977-584-74-(chloromethyl)-N-(3-chlorophenyl)-3-(3-methoxypropyl)-1,3-thiazol-2-imine4-(Chloromethyl)-N-(3-chlorophenyl)-3-(3-methoxypropyl)thiazol-2(3h)-imineAKOS030750680CS-0303494EN300-04313G35791SR-01000036847SR-01000036847-1
Show more names
Z56862330
Database identifiers
- CAS
721418-94-6- PubChem CID
- 2396465
- EC Number
- 977-584-7
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 376
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
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…