6， 6-DIMETHYL-3-(METHYLTHIO)-4-OXO-4， 5， 6， 7-TETRAHYDROBENZO[C]THIOPHENE-1-CARBONITRILE - ≥97%, high purity , CAS No.175202-50-3

Item Number

D701021

Grouped product items
SKU	Size	Availability	Price	Qty
D701021-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$97.90	+-
D701021-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$193.90	+-
D701021-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$579.90	+-

Names and Identifiers

IUPAC Name	6,6-dimethyl-3-methylsulfanyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carbonitrile
INCHI	InChI=1S/C12H13NOS2/c1-12(2)4-7-9(6-13)16-11(15-3)10(7)8(14)5-12/h4-5H2,1-3H3
InChi Key	REHLIMHCZVPSPB-UHFFFAOYSA-N
Canonical SMILES	CC1(CC2=C(SC(=C2C(=O)C1)SC)C#N)C
Isomeric SMILES	CC1(CC2=C(SC(=C2C(=O)C1)SC)C#N)C
PubChem CID	2778753
Molecular Weight	251.37

Chemical and Physical Properties

Molecular Weight	251.400 g/mol
XLogP3	3.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	251.044 Da
Monoisotopic Mass	251.044 Da
Topological Polar Surface Area	94.400 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	357.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Solution Calculators

Determine the necessary mass, volume, or concentration for preparing a solution.

Determine the dilution needed to prepare a stock solution.

Basic Description