Basic information
- CAS
309726-59-8- Standard SMILES
O=C(O)c1cc([N+](=O)[O-])ccc1Sc1nnnn1-c1ccccc1- InChIKey
ZEKBXTUQEKTDEV-UHFFFAOYSA-N- Molecular formula
- C14H9N5O4S
- Average molar mass
- 343.32 g/mol
- Monoisotopic mass
- 343.03752496
Names & identifiers
- Preferred name
- 5-nitro-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]benzoic acid
- IUPAC
- 5-nitro-2-(1-phenyltetrazol-5-yl)sulfanylbenzoic acid
- English name
- 5-NITRO-2-(1-PHENYL-1H-TETRAZOL-5-YLSULFANYL)-BENZOIC ACID
- Molecular formula
- C14H9N5O4S
- Molecular weight
- 343.32
Names & synonyms
309726-59-85-nitro-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]benzoic acid5-Nitro-2-(1-phenyl-1H-tetrazol-5-ylsulfanyl)-benzoic acid5-nitro-2-(1-phenyltetrazol-5-yl)sulfanylbenzoic acidMFCD00514454Cambridge id 5929185C14H9N5O4S5-nitro-2-(1-phenyltetrazol-5-yl)sulfanyl-benzoic AcidSTK149342AKOS001047361CS-0220006EU-0018939
Show more names
Benzoic acid, 5-nitro-2-[(1-phenyl-1H-tetrazol-5-yl)thio]-
ST50429168EN300-05519G23809AG-205/06401054SR-01000529013SR-01000529013-1Z559829445-nitro-2-((1-phenyl-1H-tetrazol-5-yl)thio)benzoic acid
Database identifiers
- CAS
309726-59-8- PubChem CID
- 777907
- EC Number
- 188-595-4
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 471
Chemistry & industry
Suppliers6 total
Ryan Scientific, Inc.[email protected]
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
ENAMINE-CHI[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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