Basic information
- CAS
35113-40-7- Standard SMILES
Nc1cc(-c2cccs2)no1- InChIKey
ZXTCNNQAVDHZHL-UHFFFAOYSA-N- Molecular formula
- C7H6N2OS
- Average molar mass
- 166.2 g/mol
Names & identifiers
- Preferred name
- 3-(2-Thienyl)-5-isoxazolamine
- IUPAC
- 3-thiophen-2-yl-1,2-oxazol-5-amine
- English name
- 3-Thien-2-ylisoxazol-5-amine
- Molecular formula
- C7H6N2OS
- Molecular weight
- 166.2
Names & synonyms
35113-40-73-(2-Thienyl)-5-isoxazolamine5-Isoxazolamine, 3-(2-thienyl)-RefChem:491339102-996-33-(thiophen-2-yl)isoxazol-5-amine3-thien-2-ylisoxazol-5-amine3-(thiophen-2-yl)-1,2-oxazol-5-amine3-thiophen-2-yl-1,2-oxazol-5-amineF2165-0021Benzeneacetic acid, a-amino-2,5-difluoro-NIOSH/NY2091666
Show more names
5-amino-3-(2-thienyl)isoxazole3-(Thiophene-2-yl)isoxazol-5-aMine
SCHEMBL148962963-(2-thienyl)isoxazol-5-amineZXTCNNQAVDHZHL-UHFFFAOYSA-N3-(2-thienyl)-5-isoxazolylamine3-(2-thienyl)isoxazole-5-ylamineSMSSF-0613783KBA11340TJA44817
Database identifiers
- CAS
35113-40-7- PubChem CID
- 216901
- EC Number
- 102-996-3
- Nikkaji
- J1.501.560H
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 144
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, 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%)
Chemistry & industry
Suppliers5 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
南京宏望医药科技有限公司15366073145 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
2 records
Compound notes
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