4-Amino-N-cyclohexyl-3-ethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
Basic information
- CAS
618076-90-7- Standard SMILES
CCn1c(N)c(C(=O)NC2CCCCC2)sc1=S- InChIKey
ZTDNZJCCOHACFV-UHFFFAOYSA-N- Molecular formula
- C12H19N3OS2
- Average molar mass
- 285.4 g/mol
- Monoisotopic mass
- 285.09695459
Names & identifiers
- Preferred name
- 4-Amino-N-cyclohexyl-3-ethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
- IUPAC
- 4-amino-N-cyclohexyl-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
- English name
- SALOR-INT L425907-1EA
- Molecular formula
- C12H19N3OS2
- Molecular weight
- 285.43
Names & synonyms
4-amino-N-cyclohexyl-3-ethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide618076-90-7RefChem:518138645-363-1MLS000085352SMR0000158324-amino-N-cyclohexyl-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide4-AMINO-N-CYCLOHEXYL-3-ETHYL-2-SULFANYLIDENE-2,3-DIHYDRO-1,3-THIAZOLE-5-CARBOXAMIDEMLS000103383cid_752652CHEMBL1460041BDBM87666
Show more names
SALOR-INT L425907-1EA5-Thiazolecarboxamide, 4-amino-N-cyclohexyl-3-ethyl-2,3-dihydro-2-thioxo-
HMS2451E05CCG-24205STK877259AKOS000347636EBC-559172ST50090739SR-01000085697SR-01000085697-1
Database identifiers
- CAS
618076-90-7- PubChem CID
- 752652
- ChEMBL
CHEMBL1460041- EC Number
- 645-363-1
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 389
Physicochemical properties
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- pka
- 11.93 · 11.93±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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