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152872-07-6 | methyl 4-(isothiocyanatomethyl)thiazole-2-carbamate
CAS No: 152872-07-6 Catalog No: AG00B8NQ MDL No:
Product Description
Catalog Number:
AG00B8NQ
Chemical Name:
methyl 4-(isothiocyanatomethyl)thiazole-2-carbamate
CAS Number:
152872-07-6
IUPAC Name:
methyl N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]carbamate
InChI:
InChI=1S/C7H7N3O2S2/c1-12-7(11)10-6-9-5(3-14-6)2-8-4-13/h3H,2H2,1H3,(H,9,10,11)
InChI Key:
BEPWEXWVYZWWNC-UHFFFAOYSA-N
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.998g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.272g/mol
Monoisotopic Mass:
228.998g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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