2,2'-Dithiobis[4-methoxybenzenamine] - CAS 7732-36-7

Catalog:	BB066385
Product Name:	2,2'-Dithiobis[4-methoxybenzenamine]
CAS:	7732-36-7
Synonyms:	2,2'-Diamino-5,5'-dimethoxydiphenyl Disulfide; Bis(2-amino-5-methoxyphenyl) Disulfide; 2,2'-Dithiodi-p-anisidine

Technical Data

IUPAC Name:	2-[(2-amino-5-methoxyphenyl)disulfanyl]-4-methoxyaniline
Description:	2,2'-Dithiobis[4-methoxybenzenamine] is a byproduct in the synthesis of 2-Amino-5-methoxythiophenol (A627990), which is a chemical reagent used in the synthesis of antibacterial benzothiazepines.
Molecular Weight:	308.42
Molecular Formula:	C14H16N2O2S2
Canonical SMILES:	COC1=CC(=C(C=C1)N)SSC2=C(C=CC(=C2)OC)N
InChI:	InChI=1S/C14H16N2O2S2/c1-17-9-3-5-11(15)13(7-9)19-20-14-8-10(18-2)4-6-12(14)16/h3-8H,15-16H2,1-2H3
InChI Key:	GWEVTUVEXHHEPF-UHFFFAOYSA-N
References:	Bhasker, N. et al. Elixir. Int. J., Dec, 29307 (2014); Pant, S. et al. Int. J. Chem., 3, 360 (2014).

Complexity:	268
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	308.0653201
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	308.0653201
Rotatable Bond Count:	5
Topological Polar Surface Area:	121Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6