S-(3,4-dihydroxyphenyl)-isothiourea

HCID 5268842
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Basic information

Standard SMILES
N=C(N)Sc1ccc(O)c(O)c1
InChIKey
WVMSXJUWHMHLDE-UHFFFAOYSA-N
Molecular formula
C7H8N2O2S
Average molar mass
184.22 g/mol
Monoisotopic mass
184.03064868

Names & identifiers

Preferred name
S-(3,4-dihydroxyphenyl)-isothiourea
IUPAC
(3,4-dihydroxyphenyl) carbamimidothioate

Names & synonyms

SCHEMBL9872331WVMSXJUWHMHLDE-UHFFFAOYSA-NS-(3,4-dihydroxyphenyl)-isothioureaAKOS002783983

Database identifiers

PubChem CID
5268842

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
116 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
12

Related reactions

1 records
New reaction record

Linked notes

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