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114326-10-2 | Ethanethioic acid, S-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl] ester
CAS No: 114326-10-2 Catalog No: AG000B3Q MDL No:
Product Description
Catalog Number:
AG000B3Q
Chemical Name:
Ethanethioic acid, S-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl] ester
CAS Number:
114326-10-2
Molecular Formula:
C9H17NO3S
Molecular Weight:
219.3012
IUPAC Name:
S-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl] ethanethioate
InChI:
InChI=1S/C9H17NO3S/c1-7(11)14-6-5-10-8(12)13-9(2,3)4/h5-6H2,1-4H3,(H,10,12)
InChI Key:
SYLBKLDSMWKIJJ-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCCSC(=O)C
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.093g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.299g/mol
Monoisotopic Mass:
219.093g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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