pyridin-2-ylsulfonylthiourea

C6H7N3O2S2 — CID 19808514

IUPACpyridin-2-ylsulfonylthiourea
SMILESNC(=S)NS(=O)(=O)c1ccccn1
InChIInChI=1S/C6H7N3O2S2/c7-6(12)9-13(10,11)5-3-1-2-4-8-5/h1-4H,(H3,7,9,12)
InChIKeyITDILCKJWZMLNW-UHFFFAOYSA-N
MW217.28 g/mol
LogP-0.40
Rot. Bonds2

About pyridin-2-ylsulfonylthiourea

pyridin-2-ylsulfonylthiourea (PubChem CID 19808514) has the molecular formula C6H7N3O2S2 and a molecular weight of 217.28 g/mol. Its IUPAC name is pyridin-2-ylsulfonylthiourea.

Molecular Properties

Compound Namepyridin-2-ylsulfonylthiourea
PubChem CID19808514
Molecular FormulaC6H7N3O2S2
Molecular Weight217.28 g/mol
Exact Mass217.00
IUPAC Namepyridin-2-ylsulfonylthiourea
SMILESNC(=S)NS(=O)(=O)c1ccccn1
InChIInChI=1S/C6H7N3O2S2/c7-6(12)9-13(10,11)5-3-1-2-4-8-5/h1-4H,(H3,7,9,12)
InChIKeyITDILCKJWZMLNW-UHFFFAOYSA-N
XLogP-0.40
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-pyridin-2-ylsulfonylbenzamide
CID 153322012
N-pyridin-2-ylsulfonylcyclopropanecarboxamide
CID 150675876
N-[2-(pyridin-2-ylsulfonylamino)phenyl]pyridine-2-sulfonamide
CID 132544567
N-(trifluoromethylsulfonyl)pyridine-2-sulfonamide
CID 118861928
N-(3-amino-2-hydroxypropyl)pyridine-2-sulfonamide
CID 71422369
bis(pyridin-2-ylsulfonyl)methanone
CID 129080912
CID 175476137
CID 175476137
N-pyridin-2-ylsulfonyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxamide
CID 134124422
N-(2,2-diphenylethyl)pyridine-2-sulfonamide
CID 135085971
2-(pyridin-2-ylsulfonylsulfamoyl)acetic acid
CID 118860101
2-(tribromomethylsulfonyl)pyridine
CID 159318212
(2S)-2-(pyridin-2-ylsulfonylamino)propanoic acid
CID 122069786

Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylsulfonylthiourea?
The IUPAC name of pyridin-2-ylsulfonylthiourea (CID 19808514) is pyridin-2-ylsulfonylthiourea.
What is the SMILES notation for pyridin-2-ylsulfonylthiourea?
The canonical SMILES for pyridin-2-ylsulfonylthiourea is NC(=S)NS(=O)(=O)c1ccccn1.
What is the InChIKey of pyridin-2-ylsulfonylthiourea?
The InChIKey is ITDILCKJWZMLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2S2/c7-6(12)9-13(10,11)5-3-1-2-4-8-5/h1-4H,(H3,7,9,12).
What are the key properties of pyridin-2-ylsulfonylthiourea?
pyridin-2-ylsulfonylthiourea has a molecular weight of 217.28 g/mol, XLogP of -0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylsulfonylthiourea is sourced from PubChem (CID 19808514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).