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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-Thiophenecarbonitrile, tetrahydro-

N#CC1CCCS1 Request for Quotation
Chemical Name: 2-Thiophenecarbonitrile, tetrahydro-
CAS Number: 112212-94-9
Product Number: AG009263(AGN-PC-00NY69)
Synonyms:
MDL No:
Molecular Formula: C5H7NS
Molecular Weight: 113.18078

Identification/Properties

Computed Properties
Molecular Weight:
113.178g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
113.03g/mol
Monoisotopic Mass:
113.03g/mol
Topological Polar Surface Area:
49.1A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
102
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


Tetrahydrothiophene-2-carbonitrile is a versatile compound widely utilized in chemical synthesis as a key building block for the creation of various pharmaceuticals, agrochemicals, and fine chemicals. Its unique structure and reactivity make it an essential reagent in organic chemistry processes, particularly in the development of complex molecules with sulfur-containing frameworks. This compound serves as a valuable intermediate in the synthesis of thiazole derivatives, which are important structural motifs found in many biologically active compounds. Additionally, Tetrahydrothiophene-2-carbonitrile can participate in diverse transformations, such as substitution, addition, and cyclization reactions, enabling the efficient construction of new chemical entities with potential applications in drug discovery and material science.