2-{[2-(2-Hydroxyethanesulfonyl)-4-nitrophenyl]sulfanyl}ethan-1-ol

HCID 13628650
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Basic information

CAS
100983-99-1
Standard SMILES
O=[N+]([O-])c1ccc(SCCO)c(S(=O)(=O)CCO)c1
InChIKey
HJFXOYNTGHQNHQ-UHFFFAOYSA-N
Molecular formula
C10H13NO6S2
Average molar mass
307.3 g/mol
Monoisotopic mass
307.01842948

Names & identifiers

Preferred name
2-{[2-(2-Hydroxyethanesulfonyl)-4-nitrophenyl]sulfanyl}ethan-1-ol
IUPAC
2-[2-(2-hydroxyethylsulfonyl)-4-nitrophenyl]sulfanylethanol

Names & synonyms

100983-99-1Ethanol, 2-[[2-[(2-hydroxyethyl)sulfonyl]-4-nitrophenyl]thio]-SCHEMBL9877837DTXSID90545410HJFXOYNTGHQNHQ-UHFFFAOYSA-N2-{[2-(2-Hydroxyethanesulfonyl)-4-nitrophenyl]sulfanyl}ethan-1-ol2-beta-Hydroxyethylmercapto-5-nitrophenyl hydroxyethyl sulfone

Database identifiers

CAS
100983-99-1
PubChem CID
13628650
DTXSID
DTXSID90545410

Properties

Computed structural properties

XLogP
0.1
Topological polar surface area
154 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
19

Related reactions

1 records
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Compound notes

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