175202-50-3
Product Name:
6,6-DIMETHYL-3-(METHYLTHIO)-4-OXO-4,5,6,7-TETRAHYDROBENZO[C]THIOPHENE-1-CARBONITRILE
Formula:
C12H13NOS2
Inquiry
SAFETY INFORMATION
Signal word | Warning |
---|---|
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. |
COMPUTED DESCRIPTORS
Molecular Weight | 251.4 g/mol |
---|---|
XLogP3 | 3.4 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 1 |
Exact Mass | 251.04385639 g/mol |
Monoisotopic Mass | 251.04385639 g/mol |
Topological Polar Surface Area | 94.4 Ų |
Heavy Atom Count | 16 |
Formal Charge | 0 |
Complexity | 357 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |