4-Phenylbutyl isothiocyanate, 95%

cas: 61499-10-3 — see every product listed under this CAS number, including other names

4-Phenylbutyl isothiocyanate, 95% (CAS 61499-10-3) is a chemical reagent available from Chemat. Available pack sizes: 1g, 10g. Offered by: Thermo Scientific.

• 2D
• 3D

1-Isothiocyanato-4-phenylbutane is a member of benzenes and an organic amino compound.

Source: ChEBI

Identity

Molecular formula	C11H13NS
Molecular weight	191.29 g/mol
IUPAC name	4-isothiocyanatobutylbenzene
InChIKey	CCBQOLFAKKAMLD-UHFFFAOYSA-N
SMILES	C1=CC=C(C=C1)CCCCN=C=S

Computed by PubChem (NCBI)

Synonyms: 4-Phenylbutyl isothiocyanate, (4-isothiocyanatobutyl)benzene, 4-phenylbutylisothiocyanate, PBITC, 4-isothiocyanatobutylbenzene, Phenylbutyl isothiocyanate, 1-Isothiocyanato-4-phenylbutane, Benzene, (4-isothiocyanatobutyl)-, 4-phenylbutanisothiocyanate, orb2646296

Isomers (same molecular formula)

1-benzylpyrrolidine-2-thione C₁₁H₁₃NS

1,3-diethyl-2-isothiocyanatobenzene C₁₁H₁₃NS

N-(1-benzothiophen-2-ylmethyl)ethanamine C₁₁H₁₃NS

1-butyl-4-isothiocyanatobenzene C₁₁H₁₃NS

2-isothiocyanato-1-methyl-3-propan-2-ylbenzene C₁₁H₁₃NS

(4-tert-butylphenyl) thiocyanate C₁₁H₁₃NS

1-tert-butyl-2-isothiocyanatobenzene C₁₁H₁₃NS

2-(1-benzothiophen-2-yl)-N-methylethanamine C₁₁H₁₃NS

6-tert-butyl-1,3-benzothiazole C₁₁H₁₃NS

4-tert-butyl-1,3-benzothiazole C₁₁H₁₃NS

3,3-dimethyl-2-methylsulfanylindole C₁₁H₁₃NS

spiro[3H-1,3-benzothiazole-2,1'-cyclopentane] C₁₁H₁₃NS