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89078-36-4 | Carbamothioic acid, (3,5-dimethoxyphenyl)-, S-(1-methylethyl) ester
CAS No: 89078-36-4 Catalog No: AG00406Z MDL No:
Product Description
Catalog Number:
AG00406Z
Chemical Name:
Carbamothioic acid, (3,5-dimethoxyphenyl)-, S-(1-methylethyl) ester
CAS Number:
89078-36-4
Molecular Formula:
C12H17NO3S
Molecular Weight:
255.3333
IUPAC Name:
S-propan-2-yl N-(3,5-dimethoxyphenyl)carbamothioate
InChI:
InChI=1S/C12H17NO3S/c1-8(2)17-12(14)13-9-5-10(15-3)7-11(6-9)16-4/h5-8H,1-4H3,(H,13,14)
InChI Key:
LEFZBLQMGBGCNC-UHFFFAOYSA-N
SMILES:
COc1cc(NC(=O)SC(C)C)cc(c1)OC
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.093g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.332g/mol
Monoisotopic Mass:
255.093g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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