Name: Name:Benzene, 2-isothiocyanato-1-methyl-3-(1-methylethyl)-
Brand: Angene
SKU: AG0030W7
Rating: 90 (10 reviews)

Benzene, 2-isothiocyanato-1-methyl-3-(1-methylethyl)-

CAS No.:

306935-86-4

Catalog Number:

AG0030W7

Molecular Formula:

C11H13NS

Molecular Weight:

191.2926

Catalog Number:

AG0030W7

Chemical Name:

Benzene, 2-isothiocyanato-1-methyl-3-(1-methylethyl)-

CAS Number:

306935-86-4

Molecular Formula:

C11H13NS

Molecular Weight:

191.2926

MDL Number:

MFCD00060370

IUPAC Name:

2-isothiocyanato-1-methyl-3-propan-2-ylbenzene

InChI:

InChI=1S/C11H13NS/c1-8(2)10-6-4-5-9(3)11(10)12-7-13/h4-6,8H,1-3H3

InChI Key:

RDFPHTAQERHCES-UHFFFAOYSA-N

SMILES:

S=C=Nc1c(C)cccc1C(C)C

Complexity:

206

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

191.077g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

191.292g/mol

Monoisotopic Mass:

191.077g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

44.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.8