3-Allyl-4-amino-N-ethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
Basic information
- CAS
618072-98-3- Standard SMILES
C=CCn1c(N)c(C(=O)NCC)sc1=S- InChIKey
ZYSOTOGHZLJIGB-UHFFFAOYSA-N- Molecular formula
- C9H13N3OS2
- Average molar mass
- 243.4 g/mol
- Monoisotopic mass
- 243.05000439
Names & identifiers
- Preferred name
- 3-Allyl-4-amino-N-ethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
- IUPAC
- 4-amino-N-ethyl-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
Names & synonyms
618072-98-33-allyl-4-amino-N-ethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamideRefChem:496626637-819-34-amino-N-ethyl-3-(prop-2-en-1-yl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxamide3-Allyl-4-amino-N-ethyl-2-thioxo-2,3-dihydrothiazole-5-carboxamideOprea1_544859STK8138254-amino-N-ethyl-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxamideAKOS001685512CCG-115808ST082966
Show more names
Z57783554(4-amino-3-prop-2-enyl-2-thioxo(1,3-thiazolin-5-yl))-N-ethylcarboxamide4-amino-N-ethyl-3-(prop-2-en-1-yl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
Database identifiers
- CAS
618072-98-3- PubChem CID
- 752645
- EC Number
- 637-819-3
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 338
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…