Cas no 85728-62-7 ((2-methylphenyl)methyl Thiocyanate)
85728-62-7 structure
Product Name:(2-methylphenyl)methyl Thiocyanate
CAS No:85728-62-7
MF:C9H9NS
MW:163.239460706711
CID:1841195
PubChem ID:2753148
Update Time:2025-04-21
(2-methylphenyl)methyl Thiocyanate Chemical and Physical Properties
Names and Identifiers
-
- (2-methylphenyl)methyl Thiocyanate
- [(2-methylphenyl)methyl]sulfanylcarbonitrile
- CTK2I3973
- 2-Methyl-1-thiocyanatomethyl-benzol
- KB-94612
- 2-Methylbenzyl thiocyanate
- AKOS004907980
- 2-methyl-benzyl thiocyanate
- AC1MBMP8
- ZINC03848393
- 2-methylbenzyl thiocyanato
- AG-L-58241
- Thiocyansaeure-(2-methyl-benzylester)
- 1-thiocyanatomethyl-2-methylbenzene
- {[(2-methylphenyl)methyl]sulfanyl}carbonitrile
- DTXSID40372970
- SCHEMBL6244378
- 1-Methyl-2-(thiocyanatomethyl)benzene
- 85728-62-7
-
- MDL： MFCD01846253
- Inchi： 1S/C9H9NS/c1-8-4-2-3-5-9(8)6-11-7-10/h2-5H,6H2,1H3
- InChI Key： TXIRPFGRGWWMSB-UHFFFAOYSA-N
- SMILES： S(C#N)CC1C=CC=CC=1C
Computed Properties
- Exact Mass: 163.04557046g/mol
- Monoisotopic Mass: 163.04557046g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 158
- 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: 2.8
- Topological Polar Surface Area: 49.1?2
Experimental Properties
- Density: 1.1±0.1 g/cm3
- Boiling Point: 278.2±9.0 °C at 760 mmHg
- Flash Point: 122.1±18.7 °C
- Vapor Pressure: 0.0±0.6 mmHg at 25°C
(2-methylphenyl)methyl Thiocyanate Security Information
- Signal Word：warning
- Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Safety Instruction： H303+H313+H333
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
(2-methylphenyl)methyl Thiocyanate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Crysdot LLC | CD12023505-100g |
1-Methyl-2-(thiocyanatomethyl)benzene |
85728-62-7 | 95+% | 100g |
$411 | 2024-07-24 |
(2-methylphenyl)methyl Thiocyanate Related Literature
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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