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16707-70-3 | Ethanethioic acid, 2-[[(phenylmethoxy)carbonyl]amino]-
CAS No: 16707-70-3 Catalog No: AG001X47 MDL No:
Product Description
Catalog Number:
AG001X47
Chemical Name:
Ethanethioic acid, 2-[[(phenylmethoxy)carbonyl]amino]-
CAS Number:
16707-70-3
Molecular Formula:
C10H11NO3S
Molecular Weight:
225.2642
IUPAC Name:
2-(phenylmethoxycarbonylamino)ethanethioic S-acid
InChI:
InChI=1S/C10H11NO3S/c12-9(15)6-11-10(13)14-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,13)(H,12,15)
InChI Key:
ZEXDNHAOIPVZTH-UHFFFAOYSA-N
SMILES:
O=C(NCC(=S)O)OCc1ccccc1
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
225.262g/mol
Monoisotopic Mass:
225.046g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
56.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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