5-(2,5-dihydroxyphenyl)-3H-1,3,4-thiadiazole-2-thione

C8H6N2O2S2 — CID 135587742

IUPAC5-(2,5-dihydroxyphenyl)-3H-1,3,4-thiadiazole-2-thione
SMILESOc1ccc(O)c(-c2n[nH]c(=S)s2)c1
InChIInChI=1S/C8H6N2O2S2/c11-4-1-2-6(12)5(3-4)7-9-10-8(13)14-7/h1-3,11-12H,(H,10,13)
InChIKeyKAVPNANWVYPHQM-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.28
Rot. Bonds1

About 5-(2,5-dihydroxyphenyl)-3H-1,3,4-thiadiazole-2-thione

5-(2,5-dihydroxyphenyl)-3H-1,3,4-thiadiazole-2-thione (PubChem CID 135587742) has the molecular formula C8H6N2O2S2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 5-(2,5-dihydroxyphenyl)-3H-1,3,4-thiadiazole-2-thione.

Molecular Properties

Compound Name5-(2,5-dihydroxyphenyl)-3H-1,3,4-thiadiazole-2-thione
PubChem CID135587742
Molecular FormulaC8H6N2O2S2
Molecular Weight226.28 g/mol
Exact Mass225.99
IUPAC Name5-(2,5-dihydroxyphenyl)-3H-1,3,4-thiadiazole-2-thione
SMILESOc1ccc(O)c(-c2n[nH]c(=S)s2)c1
InChIInChI=1S/C8H6N2O2S2/c11-4-1-2-6(12)5(3-4)7-9-10-8(13)14-7/h1-3,11-12H,(H,10,13)
InChIKeyKAVPNANWVYPHQM-UHFFFAOYSA-N
XLogP2.28
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-(5-Mercapto-[1,3,4]oxadiazol-2-yl)-phenol
CID 745318
5-[4-Hydroxyphenyl]-1,3,4-thiadiazole-2(3H)-thione
CID 135514777
Methyl 2-(2-hydroxybenzylidene)hydrazinecarbodithioate
CID 135545742
methyl N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]carbamodithioate
CID 135583288
2-(2,5-Dihydroxybenzylidene)hydrazine-1-carbothioamide
CID 135857442
2-(2,2-dimethyl-3H-1,3,4-thiadiazol-5-yl)phenol
CID 136445103
2-[(2,5-Dihydroxyphenyl)methylene]hydrazinecarbothioamide
CID 137207510
1-(2,5-Dihydroxyphenyl)-1-butanone thiosemicarbazone
CID 135504411
2-{(1E)-2-[(aminothioxomethyl)amino]-1-methyl-2-azavinyl}benzene-1,4-diol
CID 135804368
Methyl 3-(2-hydroxy phenyl)methylenedithiocarbazate
CID 1534960
5-(3-hydroxyphenyl)-3H-1,3,4-thiadiazole-2-thione
CID 23007076
2-(2-amino-6H-1,3,4-thiadiazin-5-yl)benzene-1,4-diol
CID 135543558

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dihydroxyphenyl)-3H-1,3,4-thiadiazole-2-thione?
The IUPAC name of 5-(2,5-dihydroxyphenyl)-3H-1,3,4-thiadiazole-2-thione (CID 135587742) is 5-(2,5-dihydroxyphenyl)-3H-1,3,4-thiadiazole-2-thione.
What is the SMILES notation for 5-(2,5-dihydroxyphenyl)-3H-1,3,4-thiadiazole-2-thione?
The canonical SMILES for 5-(2,5-dihydroxyphenyl)-3H-1,3,4-thiadiazole-2-thione is Oc1ccc(O)c(-c2n[nH]c(=S)s2)c1.
What is the InChIKey of 5-(2,5-dihydroxyphenyl)-3H-1,3,4-thiadiazole-2-thione?
The InChIKey is KAVPNANWVYPHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2S2/c11-4-1-2-6(12)5(3-4)7-9-10-8(13)14-7/h1-3,11-12H,(H,10,13).
What are the key properties of 5-(2,5-dihydroxyphenyl)-3H-1,3,4-thiadiazole-2-thione?
5-(2,5-dihydroxyphenyl)-3H-1,3,4-thiadiazole-2-thione has a molecular weight of 226.28 g/mol, XLogP of 2.28, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dihydroxyphenyl)-3H-1,3,4-thiadiazole-2-thione is sourced from PubChem (CID 135587742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).