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100836-63-3 | Carbamic acid, (3-methyl-2-thiazolidinylidene)-, 1,1-dimethylethyl ester (9CI)
CAS No: 100836-63-3 Catalog No: AG0002Z0 MDL No:
Product Description
Catalog Number:
AG0002Z0
Chemical Name:
Carbamic acid, (3-methyl-2-thiazolidinylidene)-, 1,1-dimethylethyl ester (9CI)
CAS Number:
100836-63-3
Molecular Formula:
C9H16N2O2S
Molecular Weight:
216.3005
IUPAC Name:
tert-butyl N-(3-methyl-1,3-thiazolidin-2-ylidene)carbamate
InChI:
InChI=1S/C9H16N2O2S/c1-9(2,3)13-8(12)10-7-11(4)5-6-14-7/h5-6H2,1-4H3
InChI Key:
KMRYLCHANUSCLD-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)N=C1SCCN1C
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.093g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.299g/mol
Monoisotopic Mass:
216.093g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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