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887475-44-7 | CarbaMic acid, N-5-isothiazolyl-,1,1- diMethylethyl ester
CAS No: 887475-44-7 Catalog No: AG019F1A MDL No:MFCD24470465
Product Description
Catalog Number:
AG019F1A
Chemical Name:
CarbaMic acid, N-5-isothiazolyl-,1,1- diMethylethyl ester
CAS Number:
887475-44-7
Molecular Formula:
C8H12N2O2S
Molecular Weight:
200.2581
MDL Number:
MFCD24470465
IUPAC Name:
tert-butyl N-(1,2-thiazol-5-yl)carbamate
InChI:
InChI=1S/C8H12N2O2S/c1-8(2,3)12-7(11)10-6-4-5-9-13-6/h4-5H,1-3H3,(H,10,11)
InChI Key:
SQAJSDVESDXUAV-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccns1)OC(C)(C)C
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.062g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.256g/mol
Monoisotopic Mass:
200.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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