4-tert-Butyldiphenyl sulfide

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Catalog Number

ACM85609036

Product Name

Structure

CAS

85609-03-6

Category

Heterocyclic Organic Compound

IUPAC Name

1-tert-butyl-4-phenylsulfanylbenzene

Molecular Weight

242.4g/mol

Molecular Formula

C16H18S

Canonical SMILES

CC(C)(C)C1=CC=C(C=C1)SC2=CC=CC=C2

InChI

InChI=1S/C16H18S/c1-16(2,3)13-9-11-15(12-10-13)17-14-7-5-4-6-8-14/h4-12H,1-3H3

InChI Key

KGRAEJDVHXHGSQ-UHFFFAOYSA-N

Complexity

214

Covalently-Bonded Unit Count

Exact Mass

242.112922g/mol

Formal Charge

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

Monoisotopic Mass

242.112922g/mol

Rotatable Bond Count

XLogP3

5.7

MSDS

COA

Spec Sheet

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