Cas no 41727-33-7 (5-Methylthiophene-3-carbonitrile)
5-Methylthiophene-3-carbonitrile is a heterocyclic organic compound featuring a thiophene ring substituted with a methyl group at the 5-position and a nitrile functional group at the 3-position. This structure makes it a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The nitrile group offers reactivity for further functionalization, while the thiophene core contributes to its utility in materials science and electronic applications. Its stability and well-defined reactivity profile make it a valuable building block for researchers developing novel compounds with tailored properties. The compound is typically handled under standard laboratory conditions, ensuring compatibility with common synthetic protocols.
41727-33-7 structure
Product Name:5-Methylthiophene-3-carbonitrile
CAS No:41727-33-7
MF:C6H5NS
MW:123.175599813461
CID:1036069
PubChem ID:22716008
Update Time:2025-06-09
5-Methylthiophene-3-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 5-Methylthiophene-3-carbonitrile
- 3-THIOPHENECARBONITRILE, 5-METHYL-
- 5-methyl-3-Thiophenecarbonitrile
- 2-methyl-4-cyano-thiophene
- 4-Cyano-2-methyl-thiophen
- QC-6741
- 2-Methyl-4-cyanothiophene
- 3-Cyano-5-methylthiophene
- CS-0360835
- A873014
- 41727-33-7
- DTXSID80627739
- SCHEMBL128130
- AKOS015899865
-
- MDL： MFCD01434338
- Inchi： 1S/C6H5NS/c1-5-2-6(3-7)4-8-5/h2,4H,1H3
- InChI Key： ZZEFHDRVGBYNKP-UHFFFAOYSA-N
- SMILES： S1C=C(C#N)C=C1C
Computed Properties
- Exact Mass: 123.01400
- Monoisotopic Mass: 123.01427034g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 124
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.7
- Topological Polar Surface Area: 52?2
Experimental Properties
- Density: 1.16±0.1 g/cm3 (20 oC 760 Torr),
- Boiling Point: 221.1±20.0 oC (760 Torr),
- Flash Point: 87.5±21.8 oC,
- Solubility: Very slightly soluble (0.9 g/l) (25 o C),
- PSA: 52.03000
- LogP: 1.92818
5-Methylthiophene-3-carbonitrile Customs Data
- HS CODE：2934999090
- Customs Data：
China Customs Code:
2934999090Overview:
2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to
Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
5-Methylthiophene-3-carbonitrile Pricemore >>
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5-Methylthiophene-3-carbonitrile Suppliers
Amadis Chemical Company Limited
Gold Member
Audited Supplier
(CAS:41727-33-7)5-Methylthiophene-3-carbonitrile
Order Number:A873014
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 09:37
Price ($):310.0
Email:[email protected]
5-Methylthiophene-3-carbonitrile Related Literature
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1. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Recommended suppliers
Amadis Chemical Company Limited
(CAS:41727-33-7)5-Methylthiophene-3-carbonitrile
Purity:99%
Quantity:1g
Price ($):310.0