Basic information
- CAS
61150-48-9- Standard SMILES
COc1cc(S)ccc1Cl- InChIKey
AXGCKAXNQUIPER-UHFFFAOYSA-N- Molecular formula
- C7H7ClOS
- Average molar mass
- 174.65 g/mol
- Monoisotopic mass
- 173.9906137
Names & identifiers
- Preferred name
- 4-Chloro-3-methoxybenzenethiol
- IUPAC
- 4-chloro-3-methoxybenzenethiol
Names & synonyms
4-Chloro-3-methoxybenzenethiolRefChem:521330899-185-661150-48-94-Chloro-3-methoxybenzene-1-thiol4-chloro-3-methoxythiophenolSCHEMBL1633580SCHEMBL4975863DTXSID10495009AXGCKAXNQUIPER-UHFFFAOYSA-NMFCD21602107AKOS005216007
Show more names
EN300-1967006
Database identifiers
- CAS
61150-48-9- PubChem CID
- 12374601
- DTXSID
DTXSID10495009- EC Number
- 899-185-6
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 10.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 110
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, 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.
Related reactions
3 records
Compound notes
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