Home Aminos Carbamic acid, [(2-thiazolylamino)thioxomethyl]-, ethyl ester (9CI)

Carbamic acid, [(2-thiazolylamino)thioxomethyl]-, ethyl ester (9CI)

CAS No.:
39142-41-1
Catalog Number:
AG00CMIU
Molecular Formula:
C7H9N3O2S2
Molecular Weight:
231.2953
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Product Description
Catalog Number:
AG00CMIU
Chemical Name:
Carbamic acid, [(2-thiazolylamino)thioxomethyl]-, ethyl ester (9CI)
CAS Number:
39142-41-1
Molecular Formula:
C7H9N3O2S2
Molecular Weight:
231.2953
MDL Number:
MFCD09863272
IUPAC Name:
ethyl N-(1,3-thiazol-2-ylcarbamothioyl)carbamate
InChI:
InChI=1S/C7H9N3O2S2/c1-2-12-7(11)10-5(13)9-6-8-3-4-14-6/h3-4H,2H2,1H3,(H2,8,9,10,11,13)
InChI Key:
SAWXOPRCFFDKPL-UHFFFAOYSA-N
SMILES:
CCOC(=O)NC(=S)Nc1nccs1
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.014g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
231.288g/mol
Monoisotopic Mass:
231.014g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties