Basic information
- CAS
39142-41-1- Standard SMILES
CCOC(=O)NC(=S)Nc1nccs1- InChIKey
SAWXOPRCFFDKPL-UHFFFAOYSA-N- Molecular formula
- C7H9N3O2S2
- Average molar mass
- 231.3 g/mol
- Monoisotopic mass
- 231.01361889
Names & identifiers
- Preferred name
- ethyl N-[(1,3-thiazol-2-yl)carbamothioyl]carbamate
- IUPAC
- ethyl N-(1,3-thiazol-2-ylcarbamothioyl)carbamate
- English name
- Carbamic acid, [(2-thiazolylamino)thioxomethyl]-, ethyl ester (9CI)
- Molecular formula
- C7H9N3O2S2
- Molecular weight
- 231.3
Names & synonyms
ethyl N-[(1,3-thiazol-2-yl)carbamothioyl]carbamateEthyl N-[(2-thiazolylamino)thioxomethyl]carbamateEthyl N-((2-thiazolylamino)thioxomethyl)carbamateethyl N-((1,3-thiazol-2-yl)carbamothioyl)carbamateRefChem:596274107-645-839142-41-1ethyl (1,3-thiazol-2-ylamino)carbonothioylcarbamateEthyl (1,3-thiazol-2-ylcarbamothioyl)carbamateethyl N-(1,3-thiazol-2-ylcarbamothioyl)carbamateCarbamic acid, [(2-thiazolylamino)thioxomethyl]-, ethyl ester (9CI)DTXSID301235326
Show more names
Carbamic acid, N-[(2-thiazolylamino)thioxomethyl]-, ethyl esterCarbamic acid, [(2-thiazolylamino)thioxomethyl]-, ethyl ester (9CI)
PBA14241AKOS009149026CS-0244795EN300-29427Ethyl(1,3-thiazol-2-ylcarbamothioyl)carbamateG20001Ethyl [(1,3-thiazol-2-yl)carbamothioyl]carbamateZ283724538
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- Melting point
- 166 · 166-167 °C(Solv: ethanol (64-17-5))
- Density
- 1.46 · 1.460±0.06 g/cm3(Predicted)
- pka
- 6.07 · 6.07±0.70(Predicted)
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+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%)
Chemistry & industry
Suppliers2 total
CHEMSTEP[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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