Basic information
- CAS
7152-24-1- Standard SMILES
CSc1nc2ccccc2[nH]1- InChIKey
OCKJFOHZLXIAAT-UHFFFAOYSA-N- Molecular formula
- C8H8N2S
- Average molar mass
- 164.23 g/mol
- Monoisotopic mass
- 164.04081926
Names & identifiers
- Preferred name
- 2-(Methylthio)benzimidazole
- IUPAC
- 2-methylsulfanyl-1H-benzimidazole
- English name
- 2-(Methylthio)benzimidazole
- Molecular formula
- C8H8N2S
- Molecular weight
- 164.23
Names & synonyms
2-(Methylthio)benzimidazole7152-24-12-Methylmercaptobenzimidazole1H-Benzimidazole, 2-(methylthio)-2-(Methylsulfanyl)-1H-benzimidazoleS-Methyl-2-mercaptobenzimidazoleBenzimidazole, 2-(methylthio)-2-Methylthio benzimidazoleBENZIMIDAZOLE, 2-METHYLTHIO-NSC 21699EINECS 230-494-53O1W4OYE3V
Show more names
2-methylthio-benzimidazol2-methylsulfanylbenzimidazole2-(methylthio)-1h-benzimidazol2-(Methylthio)benzimidazole>2-(Methylthio)-1H-benzimidazole2-(METHYLTHIO)BENZIMIDAZOLE,97%2-(Methylmercapto)-benzimidazol
BRN 01223602-(Methylmercapto)benzimidazoleNSC-21699UNII-3O1W4OYE3VDTXSID20645775-23-11-00263 (Beilstein Handbook Reference)2-(METHYLSULFANYL)BENZIMIDAZOLERefChem:84787
Database identifiers
- CAS
7152-24-1- PubChem CID
- 23539
- DTXSID
DTXSID2064577- ChEMBL
CHEMBL72355- UNII
- 3O1W4OYE3V
- EC Number
- 230-494-5
- Nikkaji
- J41.306B
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 140
Experimental & physicochemical properties
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 202 · 202-205 °C(lit.)
- Boiling point
- 347.2 · 347.2±25.0 °C(Predicted)
- Density
- 1.1724 · 1.1724 (rough estimate)
- refractive index
- 1.57 · 1.5700 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- 10.65 · 10.65±0.10(Predicted)
- color
- White to Almost white
- BRN
- 122360 · 122360
- InChI
- 1S/C8H8N2S/c1-11-8-9-6-4-2-3-5-7(6)10-8/h2-5H,1H3,(H,9,10)
- InChIKey
- OCKJFOHZLXIAAT-UHFFFAOYSA-N
- SMILES
- CSc1nc2ccccc2[nH]1
- CAS DataBase Reference
- 7152 · 7152-24-1(CAS DataBase Reference)
- FDA UNII
- 3 O1W4OYE3V · 3O1W4OYE3V
- EPA Substance Registry System
- 1 H-Benzimidazole, · 1H-Benzimidazole, 2-(methylthio)- (7152-24-1)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 233 · P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- WGK Germany
- 3 · 3
- RTECS
- 9480000 · DD9480000
- TSCA
- TSCA listed
- HS Code
- 2933.99 · 2933.99.8290
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 95.7% (22 of 23) of all reports.
Not Classified
Aggregated GHS information provided per 23 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 1H-Benzimidazole, 2-(methylthio)-
1H-Benzimidazole, 2-(methylthio)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- DD9480000
- hs_code
- 2933.99.8290
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Benzimidazole, 2-(methylthio)-: ACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers63 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
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天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
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Related reactions
11 records
Compound notes
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