pyridin-3-ylthiourea

C6H7N3S — CID 2760515

IUPACpyridin-3-ylthiourea
SMILESNC(=S)Nc1cccnc1
InChIInChI=1S/C6H7N3S/c7-6(10)9-5-2-1-3-8-4-5/h1-4H,(H3,7,9,10)
InChIKeyCFOJQUGXHMGMOT-UHFFFAOYSA-N
MW153.21 g/mol
LogP0.74
Rot. Bonds1

About pyridin-3-ylthiourea

pyridin-3-ylthiourea (PubChem CID 2760515) has the molecular formula C6H7N3S and a molecular weight of 153.21 g/mol. Its IUPAC name is pyridin-3-ylthiourea.

Molecular Properties

Compound Namepyridin-3-ylthiourea
PubChem CID2760515
Molecular FormulaC6H7N3S
Molecular Weight153.21 g/mol
Exact Mass153.04
IUPAC Namepyridin-3-ylthiourea
SMILESNC(=S)Nc1cccnc1
InChIInChI=1S/C6H7N3S/c7-6(10)9-5-2-1-3-8-4-5/h1-4H,(H3,7,9,10)
InChIKeyCFOJQUGXHMGMOT-UHFFFAOYSA-N
XLogP0.74
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.21
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

molecular hydrogen;N-pyridin-3-ylethanethioamide
CID 143306027
(pyridin-3-ylamino)thiourea
CID 3571447
boric acid;pyridin-3-ylurea
CID 175497836
N-(3-methylbut-2-en-2-yl)pyridin-3-amine
CID 58929048
O-phenyl N-pyridin-3-ylcarbamothioate
CID 125499505
N-pyridin-3-ylcyclopentanecarbothioamide
CID 88634071
5-carbamothioyl-N-pyridin-3-ylpyridine-2-carboxamide
CID 63723754
1-(2-hydroxyethyl)-3-pyridin-3-ylthiourea
CID 21497182
(2S)-3-amino-2-(pyridin-3-ylamino)-3-sulfanylidenepropanamide
CID 92864041
4-(pyridin-3-ylcarbamoylamino)benzamide
CID 47129704
1,1-diethyl-3-pyridin-3-ylthiourea
CID 60640914
2,2-difluoro-N-pyridin-3-ylacetamide
CID 103600571

Frequently Asked Questions

What is the IUPAC name of pyridin-3-ylthiourea?
The IUPAC name of pyridin-3-ylthiourea (CID 2760515) is pyridin-3-ylthiourea.
What is the SMILES notation for pyridin-3-ylthiourea?
The canonical SMILES for pyridin-3-ylthiourea is NC(=S)Nc1cccnc1.
What is the InChIKey of pyridin-3-ylthiourea?
The InChIKey is CFOJQUGXHMGMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3S/c7-6(10)9-5-2-1-3-8-4-5/h1-4H,(H3,7,9,10).
What are the key properties of pyridin-3-ylthiourea?
pyridin-3-ylthiourea has a molecular weight of 153.21 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-ylthiourea is sourced from PubChem (CID 2760515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).