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88766-30-7 | Benzenamine, N-[(methoxycarbonyl)dithio]-N-methyl-
CAS No: 88766-30-7 Catalog No: AG004D07 MDL No:
Product Description
Catalog Number:
AG004D07
Chemical Name:
Benzenamine, N-[(methoxycarbonyl)dithio]-N-methyl-
CAS Number:
88766-30-7
Molecular Formula:
C9H11NO2S2
Molecular Weight:
229.3191
IUPAC Name:
methyl [(N-methylanilino)disulfanyl]formate
InChI:
InChI=1S/C9H11NO2S2/c1-10(14-13-9(11)12-2)8-6-4-3-5-7-8/h3-7H,1-2H3
InChI Key:
RRJIXXHGJVJKFU-UHFFFAOYSA-N
SMILES:
COC(=O)SSN(c1ccccc1)C
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.023g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.312g/mol
Monoisotopic Mass:
229.023g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
80.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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