2-[1,3-Dithian-2-yl]-5-nitrobenzyl alcohol

HCID 13530283
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Basic information

Standard SMILES
O=[N+]([O-])c1ccc(C2SCCCS2)c(CO)c1
InChIKey
BUEHBYXMJFQGKB-UHFFFAOYSA-N
Molecular formula
C11H13NO3S2
Average molar mass
271.4 g/mol
Monoisotopic mass
271.03368562

Names & identifiers

Preferred name
2-[1,3-Dithian-2-yl]-5-nitrobenzyl alcohol
IUPAC
[2-(1,3-dithian-2-yl)-5-nitrophenyl]methanol

Names & synonyms

2-[1,3-Dithian-2-yl]-5-nitrobenzyl alcoholSCHEMBL10853372BUEHBYXMJFQGKB-UHFFFAOYSA-N

Database identifiers

PubChem CID
13530283

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
117 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
17

Related reactions

6 records
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Compound notes

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