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114416-92-1 | Carbamothioic acid, methyl(1-phenylethyl)-, S-(1,1-dimethylethyl) ester (9CI)
CAS No: 114416-92-1 Catalog No: AG000BAA MDL No:
Product Description
Catalog Number:
AG000BAA
Chemical Name:
Carbamothioic acid, methyl(1-phenylethyl)-, S-(1,1-dimethylethyl) ester (9CI)
CAS Number:
114416-92-1
Molecular Formula:
C14H21NOS
Molecular Weight:
251.3876
IUPAC Name:
S-tert-butyl N-methyl-N-(1-phenylethyl)carbamothioate
InChI:
InChI=1S/C14H21NOS/c1-11(12-9-7-6-8-10-12)15(5)13(16)17-14(2,3)4/h6-11H,1-5H3
InChI Key:
FAJVSDQENOCXSD-UHFFFAOYSA-N
SMILES:
O=C(N(C(c1ccccc1)C)C)SC(C)(C)C
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.134g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.388g/mol
Monoisotopic Mass:
251.134g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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