CAS 19241-16-8 | Benzene, 2-isothiocyanato-1,3-dimethyl- | CAS Number 19241-16-8

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19241-16-8 | Benzene, 2-isothiocyanato-1,3-dimethyl-

CAS No: 19241-16-8 Catalog No: AG002FXD MDL No:MFCD00038715

Product Description

Catalog Number:

AG002FXD

Chemical Name:

Benzene, 2-isothiocyanato-1,3-dimethyl-

CAS Number:

19241-16-8

Molecular Formula:

C9H9NS

Molecular Weight:

163.2395

MDL Number:

MFCD00038715

IUPAC Name:

2-isothiocyanato-1,3-dimethylbenzene

InChI:

InChI=1S/C9H9NS/c1-7-4-3-5-8(2)9(7)10-6-11/h3-5H,1-2H3

InChI Key:

UULUECCNPPJFBU-UHFFFAOYSA-N

SMILES:

S=C=Nc1c(C)cccc1C

EC Number:

242-906-0

UNII:

TIM0LV0QKN

NSC Number:

172978

Properties

Complexity:

162

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

163.046g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

163.238g/mol

Monoisotopic Mass:

163.046g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

44.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.1

Literature

Title	Journal
Imidazolin-2-iminato complexes of rare earth metals with very short metal-nitrogen bonds: experimental and theoretical studies.	Inorganic chemistry 20090615
Inhibitors of calling behavior of Plodia interpunctella.	Journal of insect science (Online) 20030101