Basic information
- CAS
29638-33-3- Standard SMILES
Oc1ccccc1-c1n[nH]c(=S)o1- InChIKey
HMIBKGQKYCFESO-UHFFFAOYSA-N- Molecular formula
- C8H6N2O2S
- Average molar mass
- 194.21 g/mol
- Monoisotopic mass
- 194.01499861
Names & identifiers
- Preferred name
- 5-(2'-Hydroxyphenyl)-2,3-dihydro-1,3,4-oxadiazole-2-thione (2)
- IUPAC
- 5-(2-hydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione
- English name
- 2-(5-MERCAPTO-1,3,4-OXADIAZOL-2-YL)PHENOL
- Molecular formula
- C8H6N2O2S
- Molecular weight
- 194.21
Names & synonyms
5-(2'-Hydroxyphenyl)-2,3-dihydro-1,3,4-oxadiazole-2-thione (2)RefChem:10723522-(5-mercapto-1,3,4-oxadiazol-2-yl)phenol29638-33-32-(5-sulfanyl-1,3,4-oxadiazol-2-yl)phenolMFCD009852835-(2-HYDROXYPHENYL)-3H-1,3,4-OXADIAZOLE-2-THIONECHEMBL2401651,3,4-Oxadiazole-2(3H)-thione, 5-(2-hydroxyphenyl)-SCHEMBL2800972SCHEMBL27784446DTXSID90425182
Show more names
AURORA 23285AKOS TOT-0403AKOS BBS-00002155ART-CHEM-BB B023276OTAVA-BB BB71109525925-(o-Hydroxyphenyl)-1,3,4-oxadiazole-2-thione
BDBM152485BBL000657BDBM50225229CCG-15191SBB016221STK088747STK5067776-(5-sulfanylidene-1,3,4-oxadiazolidin-2-ylidene)cyclohexa-2,4-dien-1-one
Database identifiers
- CAS
29638-33-3- PubChem CID
- 693308
- DTXSID
DTXSID90425182- ChEMBL
CHEMBL240165
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 85.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 255
Experimental & physicochemical properties
LogP2.42
Chemistry & industry
Suppliers3 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [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]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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