aminothiourea;pyridine

C6H10N4S — CID 158554630

IUPACaminothiourea;pyridine
SMILESNNC(N)=S.c1ccncc1
InChIInChI=1S/C5H5N.CH5N3S/c1-2-4-6-5-3-1;2-1(5)4-3/h1-5H;3H2,(H3,2,4,5)
InChIKeyHQDDEDOJSVFEHK-UHFFFAOYSA-N
MW170.24 g/mol
LogP-0.23
Rot. Bonds

About aminothiourea;pyridine

aminothiourea;pyridine (PubChem CID 158554630) has the molecular formula C6H10N4S and a molecular weight of 170.24 g/mol. Its IUPAC name is aminothiourea;pyridine.

Molecular Properties

Compound Nameaminothiourea;pyridine
PubChem CID158554630
Molecular FormulaC6H10N4S
Molecular Weight170.24 g/mol
Exact Mass170.06
IUPAC Nameaminothiourea;pyridine
SMILESNNC(N)=S.c1ccncc1
InChIInChI=1S/C5H5N.CH5N3S/c1-2-4-6-5-3-1;2-1(5)4-3/h1-5H;3H2,(H3,2,4,5)
InChIKeyHQDDEDOJSVFEHK-UHFFFAOYSA-N
XLogP-0.23
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

aminothiourea;1,3,5-triazine
CID 175354534
pyridine;titanium
CID 87570870
propanethioamide;pyridine
CID 159661504
pyridine
CID 160878650
1,5-diazecine
CID 53440348
pyridine
CID 67755510
bis(pyridine);urea;hydrofluoride
CID 174564586
aminomethylthiourea;pyrimidine
CID 175303792
arsinous acid;pyridine
CID 174645427
tetrakis(pyridine);silicic acid
CID 172745480
iridium(3+);tris(pyridine)
CID 22020171
bis(pyridine);hydrochloride
CID 68793121

Frequently Asked Questions

What is the IUPAC name of aminothiourea;pyridine?
The IUPAC name of aminothiourea;pyridine (CID 158554630) is aminothiourea;pyridine.
What is the SMILES notation for aminothiourea;pyridine?
The canonical SMILES for aminothiourea;pyridine is NNC(N)=S.c1ccncc1.
What is the InChIKey of aminothiourea;pyridine?
The InChIKey is HQDDEDOJSVFEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.CH5N3S/c1-2-4-6-5-3-1;2-1(5)4-3/h1-5H;3H2,(H3,2,4,5).
What are the key properties of aminothiourea;pyridine?
aminothiourea;pyridine has a molecular weight of 170.24 g/mol, XLogP of -0.23, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aminothiourea;pyridine is sourced from PubChem (CID 158554630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).