CAS 1227-45-8 | Thiourea, N,N'-bis(4-methoxyphenyl)- | CAS Number 1227-45-8

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1227-45-8 | Thiourea, N,N'-bis(4-methoxyphenyl)-

CAS No: 1227-45-8 Catalog No: AG000J0I MDL No:MFCD00025792

Product Description

Catalog Number:

AG000J0I

Chemical Name:

Thiourea, N,N'-bis(4-methoxyphenyl)-

CAS Number:

1227-45-8

Molecular Formula:

C15H16N2O2S

Molecular Weight:

288.3647

MDL Number:

MFCD00025792

IUPAC Name:

1,3-bis(4-methoxyphenyl)thiourea

InChI:

InChI=1S/C15H16N2O2S/c1-18-13-7-3-11(4-8-13)16-15(20)17-12-5-9-14(19-2)10-6-12/h3-10H,1-2H3,(H2,16,17,20)

InChI Key:

RGRJEERVXALLTH-UHFFFAOYSA-N

SMILES:

COc1ccc(cc1)NC(=S)Nc1ccc(cc1)OC

NSC Number:

164990

Properties

Complexity:

270

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

288.093g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

288.365g/mol

Monoisotopic Mass:

288.093g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

74.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1

Literature

Title	Journal
1,3-Bis(2-meth-oxy-phen-yl)thio-urea.	Acta crystallographica. Section E, Structure reports online 20111101
Antimycobacterial activities of isoxyl and new derivatives through the inhibition of mycolic acid synthesis.	Antimicrobial agents and chemotherapy 19990501