(±)-1-Phenylethyl isothiocyanate
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Product Description
Product
(±)-1-Phenylethyl isothiocyanate
CAS
4478-92-6
Formula
C9 H9 N S; C9H9NS
Synonym
1-PHENYLETHYL ISOTHIOCYANATE; alpha-Methylbenzyl isothiocyanate; Benzene, (1-isothiocyanatoethyl)- (9CI); DL-alpha-Methylbenzyl isothiocyanate,98%; dl-à-methylbenzyl isothiocyanate; Isothiocyanic acid, (alpha-methylbenzyl) ester; isothiocyanicacid,(alpha-methylbenzyl)ester; NSC 221236; (±)-1-Phenylethylisothiocyanate,97%; (n)-1-phenylethyl isothiocyanate; 1-Phenethylisothiocyanate , 97%
Typical Product Specifications
Molecular weight
163.24
SMILES
c1([C@@H](N=C=S)C)ccccc1
InChI
QQCJPTVZIZVKEZ-UHFFFAOYSA-N
InChIKey
1S/C9H9NS/c1-8(10-7-11)9-5-3-2-4-6-9/h2-6,8H,1H3
log P (octanol-water)
3.46
Vapor Pressure
0.011 mm Hg
Water solubility
73.4 mg/L
Atmospheric OH Rate Constant
6.73E-12 cm3/molecule-sec
Henry's Law Constant
3.33E-04 atm-m3/mole
Class
(±)-1-Phenylethyl isothiocyanate
Product Description
Product
(±)-1-Phenylethyl isothiocyanate
CAS
4478-92-6
Formula
C9 H9 N S; C9H9NS
Synonym
1-PHENYLETHYL ISOTHIOCYANATE; alpha-Methylbenzyl isothiocyanate; Benzene, (1-isothiocyanatoethyl)- (9CI); DL-alpha-Methylbenzyl isothiocyanate,98%; dl-à-methylbenzyl isothiocyanate; Isothiocyanic acid, (alpha-methylbenzyl) ester; isothiocyanicacid,(alpha-methylbenzyl)ester; NSC 221236; (±)-1-Phenylethylisothiocyanate,97%; (n)-1-phenylethyl isothiocyanate; 1-Phenethylisothiocyanate , 97%
Typical Product Specifications
Molecular weight
163.24
SMILES
c1([C@@H](N=C=S)C)ccccc1
InChI
QQCJPTVZIZVKEZ-UHFFFAOYSA-N
InChIKey
1S/C9H9NS/c1-8(10-7-11)9-5-3-2-4-6-9/h2-6,8H,1H3
log P (octanol-water)
3.46
Vapor Pressure
0.011 mm Hg
Water solubility
73.4 mg/L
Atmospheric OH Rate Constant
6.73E-12 cm3/molecule-sec
Henry's Law Constant
3.33E-04 atm-m3/mole
Class
