5-[4-(Methylthio)phenyl]-1H-tetrazole
Basic information
- CAS
138689-79-9- Standard SMILES
CSc1ccc(-c2nn[nH]n2)cc1- InChIKey
BKSCIIVDHYXBRU-UHFFFAOYSA-N- Molecular formula
- C8H8N4S
- Average molar mass
- 192.24 g/mol
- Monoisotopic mass
- 192.04696745
Names & identifiers
- Preferred name
- 5-[4-(Methylthio)phenyl]-1H-tetrazole
- IUPAC
- 5-(4-methylsulfanylphenyl)-2H-tetrazole
- English name
- 5-[4-(Methylthio)phenyl]-1H-tetrazole
- Molecular formula
- C8H8N4S
- Molecular weight
- 192.24
Names & synonyms
138689-79-95-[4-(Methylthio)phenyl]-1H-tetrazole5-(4-methylsulfanylphenyl)-2H-tetrazole5-(4-(Methylthio)phenyl)-1H-tetrazole5-[4-(methylsulfanyl)phenyl]-2H-1,2,3,4-tetrazole2H-Tetrazole, 5-[4-(methylthio)phenyl]-MFCD030930971-(1H-1,2,3,4-tetraazol-5-yl)-4-methylthiobenzene5-[4-(METHYLSULFANYL)PHENYL]-1H-1,2,3,4-TETRAZOLESCHEMBL7157504SCHEMBL24784121DTXSID30406415
Show more names
5-4-(Methylthio)phenylü-1H-tetrazole, 99%
5-(4-methylthiophenyl)-tetrazoleBKSCIIVDHYXBRU-UHFFFAOYSA-NSBB091458AKOS000296817AKOS022964588AS-643225-[4-(Methylsulfanyl)phenyl]-2H-tetrazoleST50408416
Database identifiers
- CAS
138689-79-9- PubChem CID
- 4772872
- DTXSID
DTXSID30406415- EC Number
- 681-131-6
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 158
Physicochemical properties
- Melting point
- 214 · 214-215°C
- Symbol(GHS)
- 7 · GHS07
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- risk_code
- 36/37/38
- Symbol(GHS)
- GHS07
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Suppliers
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Related reactions
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Compound notes
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