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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

N#Cc1c(N)sc2c1CCC(C2)C Request for Quotation
Chemical Name: 2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CAS Number: 42225-04-7
Product Number: AG00737U(AGN-PC-0JTFHL)
Synonyms:
MDL No:
Molecular Formula: C10H12N2S
Molecular Weight: 192.2807

Identification/Properties

Computed Properties
Molecular Weight:
192.28g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
192.072g/mol
Monoisotopic Mass:
192.072g/mol
Topological Polar Surface Area:
78A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
245
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P264-P280-P261-P271-P302+P352-P321-P332+P313-P362+P364-P305+P351+P338-P337+P313-P304+P340-P312-P403+P233-P405-P501
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


2-Amino-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile is a versatile compound commonly employed in chemical synthesis. Its unique structure and reactivity make it a valuable building block for the creation of various organic molecules. In synthesis, this compound serves as a key intermediate in the preparation of pharmaceuticals, agrochemicals, and materials science. By undergoing different functional group transformations, it can be used to introduce specific functionalities into target molecules. Additionally, its flexibility in reacting with different reagents allows for the formation of diverse chemical bonds, enabling the synthesis of complex compounds with high precision. In summary, the application of 2-Amino-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile in chemical synthesis offers researchers a powerful tool for constructing intricate molecular structures with strategic control over their properties and functions.