CAS 25343-70-8: 2-Isothiocyanato-1,3-bis(1-methylethyl)benzene

Description: 2-Isothiocyanato-1,3-bis(1-methylethyl)benzene, also known by its CAS number 25343-70-8, is an organic compound characterized by the presence of an isothiocyanate functional group attached to a substituted benzene ring. This compound features a bulky isopropyl group at the 1 and 3 positions of the benzene ring, contributing to its steric properties. Isothiocyanates are known for their pungent odor and are often associated with various biological activities, including potential anticancer properties. The presence of the isothiocyanate group suggests that this compound may exhibit reactivity towards nucleophiles, making it useful in synthetic organic chemistry. Additionally, compounds of this nature can be involved in the synthesis of other chemical entities or serve as intermediates in various chemical reactions. Due to its structural characteristics, 2-Isothiocyanato-1,3-bis(1-methylethyl)benzene may also have applications in the fields of agrochemicals or pharmaceuticals, although specific applications would depend on further research and development.

Formula: C₁₃H₁₇NS

InChI: InChI=1S/C13H17NS/c1-9(2)11-6-5-7-12(10(3)4)13(11)14-8-15/h5-7,9-10H,1-4H3

InChI key: InChIKey=HZGOUCYIYIFQHX-UHFFFAOYSA-N

SMILES: S=C=NC=1C(=CC=CC1C(C)C)C(C)C

Synonyms:

• 1,3-Diisopropyl-2-isothiocyanatobenzene
• 2-Isothiocyanato-1,3-Di(Propan-2-Yl)Benzene
• 2-Isothiocyanato-1,3-bis(1-methylethyl)benzene
• 2-Isothiocyanato-1,3-bis(propan-2-yl)benzene
• Benzene, 2-isothiocyanato-1,3-bis(1-methylethyl)-
• Isothiocyanic acid, 2,6-diisopropylphenyl ester
• 2,6-Diisopropylphenyl isothiocyanate

2,6-DIISOPROPYLPHENYL ISOTHIOCYANATE

CAS: 25343-70-8

• Formula: C₁₃H₁₇NS
• Purity: 97%
• Color and Shape: Liquid
• Molecular weight: 219.34578

2,6-Diisopropylphenyl isothiocyanate (contains 7-8% isomers)

CAS: 25343-70-8

• Molecular weight: 219.34578g/mol

1,3-Diisopropyl-2-isothiocyanatobenzene

CAS: 25343-70-8

• Formula: C₁₃H₁₇NS
• Purity: >95.0%(GC)
• Color and Shape: Colorless to Light yellow to Light orange clear liquid
• Molecular weight: 219.35

2,6-Diisopropylphenyl isothiocyanate

CAS: 25343-70-8

• Purity: 92.0%
• Color and Shape: Liquid
• Molecular weight: 219.35000610351562

1,3-Diisopropyl-2-isothiocyanatobenzene

CAS: 25343-70-8

Versatile small molecule scaffold

• Formula: C₁₃H₁₇NS
• Purity: Min. 95%
• Molecular weight: 219.35 g/mol