5-Amino-2-(methylsulfanyl)benzonitrile - CAS 306980-70-1
Catalog: |
BB074644 |
Product Name: |
5-Amino-2-(methylsulfanyl)benzonitrile |
CAS: |
306980-70-1 |
Synonyms: |
5-Amino-2-(methylthio)benzonitrile |
IUPAC Name: | 5-amino-2-methylsulfanylbenzonitrile |
Description: | 5-Amino-2-(methylsulfanyl)benzonitrile |
Molecular Weight: | 164.23 |
Molecular Formula: | C8H8N2S |
Canonical SMILES: | CSC1=C(C=C(C=C1)N)C#N |
InChI: | InChI=1S/C8H8N2S/c1-11-8-3-2-7(10)4-6(8)5-9/h2-4H,10H2,1H3 |
InChI Key: | MISXQBNGUWSXCT-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.04081944 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.04081944 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 75.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Other Building Blocks
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS