95-15-8
Product Name:
Thianaphthene
Formula:
C8H6S
Synonyms:
Benzo[b]thiophene;Benzothiophene;Thionaphthene
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid with an odor like naphthalene; mp = 32 deg C; [Merck Index] White crystals with an unpleasant odor; mp =28-32 deg C; [Alfa Aesar MSDS] |
|---|---|
| Vapor Pressure | 0.99 [mmHg] |
| Kovats Retention Index | 1155 1165 1168 1169 1196 1200 1205 1165 1168 1148.6 1169 1145 1171.2 1159 1161 1161 1200 200.92 |
| Chemical Classes | Other Classes -> Thiophenes |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H412:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P273:Avoid release to the environment. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 134.20 g/mol |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 134.01902136 g/mol |
| Monoisotopic Mass | 134.01902136 g/mol |
| Topological Polar Surface Area | 28.2 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 101 |
| 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 |
PRODUCT INTRODUCTION
description
1-benzothiophene is a benzothiophene and a member of 1-benzothiophenes.