(2-Methylphenyl)methanethiol
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Basic information
- CAS
7341-24-4- Standard SMILES
Cc1ccccc1CS- InChIKey
PJUDFYDAJBQPEA-UHFFFAOYSA-N- Molecular formula
- C8H10S
- Average molar mass
- 138.23 g/mol
- Monoisotopic mass
- 138.05032132
Names & identifiers
- Preferred name
- (2-Methylphenyl)methanethiol
- IUPAC
- (2-methylphenyl)methanethiol
- English name
- 2-Methylbenzyl mercaptan
- Molecular formula
- C8H10S
- Molecular weight
- 138.23
Names & synonyms
(2-methylphenyl)methanethiolDTXSID60302072RefChem:396132DTXCID50253206817-684-97341-24-42-Methylbenzyl mercaptan2-Methylbenzylmercaptano-tolylmethanethiolMFCD000220742-Methylbenzenemethanethiolo-tolyl-methanethiol
Show more names
0-Tolyl-methanethiol2-METHYLBENZYL THIOLO-METHYL-A-TOLUENETHIOLO-METHYLBENZYL MERCAPTANo-Methyl-alpha-toluenethiol2-METHYL-ALPHA-TOLUENETHIOL
NSC148323SCHEMBL842314SCHEMBL1145392SCHEMBL6862946SCHEMBL7472894SCHEMBL29577000(2-methylphenyl)methane-1-thiolPJUDFYDAJBQPEA-UHFFFAOYSA-N
Database identifiers
- CAS
7341-24-4- PubChem CID
- 288028
- DTXSID
DTXSID60302072- EC Number
- 817-684-9
- Nikkaji
- J714.584E
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 80.6
Physicochemical properties
- Boiling point
- 56 · 56-58℃/5mm
- refractive index
- 1.572 · 1.5720
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- Specific Gravity
- 1.01 · 1.01
- Appearance
- Colorless to light yellow Liquid
- Sensitive
- Air Sensitive
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H319-H331-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- HazardClass
- 6.1 · 6.1
- HS Code
- 2930909899 · 2930909899
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2930909899
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_class
- 6.1
- Hazard statements
- H302-H315-H319-H331-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Related reactions
6 records
Compound notes
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