5-Iodo-2-mercaptobenzoic acid

HCID 24773373
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Basic information

Standard SMILES
O=C(O)c1cc(I)ccc1S
InChIKey
DSEOHZFMNDXZGY-UHFFFAOYSA-N
Molecular formula
C7H5IO2S
Average molar mass
280.08 g/mol

Names & identifiers

Preferred name
5-Iodo-2-mercaptobenzoic acid
IUPAC
5-iodo-2-sulfanylbenzoic acid

Names & synonyms

5-iodo-2-mercaptobenzoic acid1005412-69-05-iodo-2-sulfanylbenzoic acid5-iodothiosalicyclic acid5-iodo-2-mercaptobenzoicacidSCHEMBL11449960DSEOHZFMNDXZGY-UHFFFAOYSA-NMFCD22481314AKOS020991370SY495182EN300-363683

Database identifiers

PubChem CID
24773373

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
38.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
11

Related reactions

1 records
New reaction record

Linked notes

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