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N-(BUTYLTHIO)ACETONITRILE structure

N-(BUTYLTHIO)ACETONITRILE
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1. Names and Identifiers
1.1 Name
N-(BUTYLTHIO)ACETONITRILE
1.2 Synonyms
(Butylthio)acetonitrile; 2-(butylthio)acetonitrile; Acetonitrile, 2-(butylthio)-; Butylcyanomethyl sulfide; N-(BUTYLTHIO)ACETONITRILE;
1.3 CAS No.
71037-08-6
1.4 CID
7567852
1.5 Molecular Formula
C6H11NS
1.6 Inchi
InChI=1S/C6H11NS/c1-2-3-5-8-6-4-7/h2-3,5-6H2,1H3
1.7 InChkey
LRMUBLYDYGZCDR-UHFFFAOYSA-N
1.8 Canonical Smiles
CCCCSCC#N
1.9 Isomers Smiles
CCCCSCC#N
2. Properties
2.1 Storage
Ambient temperatures.
3. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available
Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

View all
4. Synthesis Route
71037-08-6Total: 1 Synthesis Route
 
109-79-5
109-79-5 60 Suppliers
 
107-14-2
107-14-2 119 Suppliers
 
71037-08-6
71037-08-6 11 Suppliers
5. Precursor and Product
precursor:
109-79-5
109-79-5
107-14-2
107-14-2
6. Computed Properties
  • Molecular Weight：129.22324g/mol
  • Molecular Formula：C6H11NS
  • Compound Is Canonicalized：True
  • Exact Mass：1.9
  • XLogP3-AA：129.06122053
  • Monoisotopic Mass：129.06122053
  • Complexity：81.8
  • Rotatable Bond Count：4
  • Hydrogen Bond Donor Count：0
  • Hydrogen Bond Acceptor Count：2
  • Topological Polar Surface Area：49.1
  • Heavy Atom Count：：8
  • Defined Atom Stereocenter Count：0
  • Undefined Atom Stereocenter Count：0
  • Defined Bond Stereocenter Count：0
  • Undefined Bond Stereocenter Count：0
  • Isotope Atom Count：0
  • Covalently-Bonded Unit Count：1
  • CACTVS Substructure Key Fingerprint：AAADccBiAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHAQAAAAACACFQACCAAAAAAgQBAAAAAAAAAAAABAAAAAAAAAAAAAgAAAAAAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
7. Toltal 10 Suppliers View more
n-(Butylthio)acetonitrile
Dayang Chem (Hangzhou) Co., Ltd.
 1YR   China
Tel: Update Time:2024/06/17
inquire
N-(BUTYLTHIO)ACETONITRILE
Alfa Aesar
United States
Tel: Update Time:2019/11/25
inquire
N-(BUTYLTHIO)ACETONITRILE
VWR International
United Kingdom
Tel: Update Time:2019/11/25
inquire
N-(BUTYLTHIO)ACETONITRILE
ABCR GmbH & CO. KG
Germany
Tel: Update Time:2019/11/25
inquire
N-(BUTYLTHIO)ACETONITRILE
Advanced Technology & Industrial Co., Ltd.
China
Tel: Update Time:2019/11/25
inquire
8. Realated Product Infomation
 
1. Names and Identifiers
2. Properties
3. Msds
4. Synthesis Route
5. Precursor and Product
6. Computational chemical data
7. Toltal 10 Suppliers
8. Realated Product Infomation
 
 
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