Basic information
- CAS
306936-90-3- Standard SMILES
CC(C)(C)c1ccc(-c2n[nH]c(=S)o2)cc1- InChIKey
ATIYHEZPBLMRNI-UHFFFAOYSA-N- Molecular formula
- C12H14N2OS
- Average molar mass
- 234.32 g/mol
- Monoisotopic mass
- 234.08268425
Overview
5-[4-(tert-butyl)phenyl]-1,3,4-oxadiazole-2-thiol is an alkylbenzene.
Names & identifiers
- Preferred name
- 5-(4-Tert-butylphenyl)-1,3,4-oxadiazole-2-thiol
- IUPAC
- 5-(4-tert-butylphenyl)-3H-1,3,4-oxadiazole-2-thione
- English name
- 5-[4-(tert-Butyl)phenyl]-1,3,4-oxadiazole-2-thiol
- Molecular formula
- C12H14N2OS
- Molecular weight
- 234.32
Names & synonyms
306936-90-35-(4-tert-butylphenyl)-1,3,4-oxadiazole-2-thiolDTXSID40351083RefChem:300112DTXCID803021505-(4-tert-butylphenyl)-3H-1,3,4-oxadiazole-2-thione5-(4-(tert-butyl)phenyl)-1,3,4-oxadiazole-2-thiol5-[4-(tert-butyl)phenyl]-1,3,4-oxadiazole-2-thiolMFCD005009395-(4-(tert-Butyl)phenyl)-1,3,4-oxadiazole-2(3H)-thione5-(4-tert-Butyl-phenyl)-3H-[1,3,4]oxadiazole-2-thione5-[4-(tert-butyl)phenyl]-1,3,4-oxadiazol-2-ylhydrosulfide
Show more names
5-[4-(1,1-Dimethylethyl)phenyl]-1,3,4-oxadiazole-2(3H)-thione1,3,4-Oxadiazole-2(3H)-thione, 5-[4-(1,1-dimethylethyl)phenyl]-
5-(4-tert-butylphenyl)-1,3,4-oxadiazole-2(3H)-thioneMaybridge1_008873CBMicro_004022SCHEMBL414994HMS566L07CHEBI:228654SMSF0012694STK411169
Database identifiers
- CAS
306936-90-3
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 65.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 311
Physicochemical properties
- Melting point
- 157 · 157-158℃
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers9 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
菏泽书颖生物科技有限公司18553078733 · [email protected]
山东碳氢生物化工有限公司13060081947 13060081947 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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