3-Allyl-4-amino-N-benzyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
Basic information
- CAS
618076-60-1- Standard SMILES
C=CCn1c(N)c(C(=O)NCc2ccccc2)sc1=S- InChIKey
DSNVUAYERRMHAT-UHFFFAOYSA-N- Molecular formula
- C14H15N3OS2
- Average molar mass
- 305.4 g/mol
- Monoisotopic mass
- 305.06565446
Names & identifiers
- Preferred name
- 3-Allyl-4-amino-N-benzyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
- IUPAC
- 4-amino-N-benzyl-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
Names & synonyms
3-allyl-4-amino-N-benzyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide618076-60-1RefChem:496624645-379-9ChemDiv3_005357HMS1488D11CCG-24203STK8772694-amino-N-benzyl-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxamideAKOS0016862144-amino-N-benzyl-3-(prop-2-en-1-yl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxamideIDI1_023267
Show more names
BRD-K35665675-001-01-6Z577838794-amino-N-benzyl-3-(prop-2-en-1-yl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
Database identifiers
- CAS
618076-60-1- PubChem CID
- 752650
- EC Number
- 645-379-9
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 442
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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