Basic information
- CAS
4344-61-0- Standard SMILES
CSc1nc2ccccc2n1C- InChIKey
WXOHRQAMBKXWME-UHFFFAOYSA-N- Molecular formula
- C9H10N2S
- Average molar mass
- 178.26 g/mol
- Monoisotopic mass
- 178.0564695
Names & identifiers
- Preferred name
- 1-methyl-2-(methylsulfanyl)-1H-1,3-benzodiazole
- IUPAC
- 1-methyl-2-methylsulfanylbenzimidazole
- English name
- 1H-Benzimidazole,1-methyl-2-(methylthio)-(8CI,9CI)
- Molecular formula
- C9H10N2S
- Molecular weight
- 178.25
Names & synonyms
4344-61-01-methyl-2-(methylsulfanyl)-1H-1,3-benzodiazoleRefChem:433997981-879-61-methyl-2-(methylthio)-1H-benzo[d]imidazole1-methyl-2-methylthiobenzimidazole1-methyl-2-methylsulfanylbenzimidazole1-Methyl-2-(methylthio)-1H-benzimidazole1H-Benzimidazole,1-methyl-2-(methylthio)-(8CI,9CI)Enamine_005875NCIOpen2_008763CHEMBL223968
Show more names
1H-Benzimidazole, 1-methyl-2-(methylthio)-
SCHEMBL4160892SCHEMBL9480741WXOHRQAMBKXWME-UHFFFAOYSA-NDTXSID201352301HMS1410L01EAA34461EBC-12948MFCD00507035
Database identifiers
- CAS
4344-61-0- PubChem CID
- 415665
- DTXSID
DTXSID201352301- ChEMBL
CHEMBL223968- EC Number
- 981-879-6
- Nikkaji
- J1.309.675I
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 163
Experimental & physicochemical properties
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
LogP3.33
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers6 total
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
上海睿升化工科技有限公司15026594951 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
3 records
Compound notes
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