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72083-53-5 | Carbamic acid,(4-methyl-4H-pyrrolo[3,2-d]thiazol-2-yl)-, ethyl ester (9CI)
CAS No: 72083-53-5 Catalog No: AG008QVE MDL No:
Product Description
Catalog Number:
AG008QVE
Chemical Name:
Carbamic acid,(4-methyl-4H-pyrrolo[3,2-d]thiazol-2-yl)-, ethyl ester (9CI)
CAS Number:
72083-53-5
Molecular Formula:
C9H11N3O2S
Molecular Weight:
225.2675
IUPAC Name:
ethyl N-(4-methylpyrrolo[3,2-d][1,3]thiazol-2-yl)carbamate
InChI:
InChI=1S/C9H11N3O2S/c1-3-14-9(13)11-8-10-6-4-5-12(2)7(6)15-8/h4-5H,3H2,1-2H3,(H,10,11,13)
InChI Key:
LSQDBHRMANDFSV-UHFFFAOYSA-N
SMILES:
CCOC(=O)Nc1nc2c(s1)n(cc2)C
UNII:
SQ2B0D2OEC
NSC Number:
354212
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.057g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.266g/mol
Monoisotopic Mass:
225.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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