CAS 6590-93-8 | 3,5-DICHLOROPHENYL ISOTHIOCYANATE | CAS Number 6590-93-8

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6590-93-8 | 3,5-DICHLOROPHENYL ISOTHIOCYANATE

CAS No: 6590-93-8 Catalog No: AG003ILY MDL No:MFCD00041072

Product Description

Catalog Number:

AG003ILY

Chemical Name:

3,5-DICHLOROPHENYL ISOTHIOCYANATE

CAS Number:

6590-93-8

Molecular Formula:

C7H3Cl2NS

Molecular Weight:

204.0764

MDL Number:

MFCD00041072

IUPAC Name:

1,3-dichloro-5-isothiocyanatobenzene

InChI:

InChI=1S/C7H3Cl2NS/c8-5-1-6(9)3-7(2-5)10-4-11/h1-3H

InChI Key:

JLEMKZDHFGCHLO-UHFFFAOYSA-N

SMILES:

S=C=Nc1cc(Cl)cc(c1)Cl

Properties

Complexity:

169

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

202.936g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

204.068g/mol

Monoisotopic Mass:

202.936g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

44.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.6

Literature

Title	Journal
The factors that influence the elution order for the resolution of amino acids on vancomycin phase using the polar-organic mobile phases after their pre-column derivatization with electrophilic reagents.	Biomedical chromatography : BMC 20050701