ethane;S-(5-methyl-3-pyridinyl)thiohydroxylamine

C8H14N2S — CID 166471410

IUPACethane;S-(5-methyl-3-pyridinyl)thiohydroxylamine
SMILESCC.Cc1cncc(SN)c1
InChIInChI=1S/C6H8N2S.C2H6/c1-5-2-6(9-7)4-8-3-5;1-2/h2-4H,7H2,1H3;1-2H3
InChIKeyKGUMXWRWYRXGRK-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.38
Rot. Bonds1

About ethane;S-(5-methyl-3-pyridinyl)thiohydroxylamine

ethane;S-(5-methyl-3-pyridinyl)thiohydroxylamine (PubChem CID 166471410) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is ethane;S-(5-methyl-3-pyridinyl)thiohydroxylamine.

Molecular Properties

Compound Nameethane;S-(5-methyl-3-pyridinyl)thiohydroxylamine
PubChem CID166471410
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Nameethane;S-(5-methyl-3-pyridinyl)thiohydroxylamine
SMILESCC.Cc1cncc(SN)c1
InChIInChI=1S/C6H8N2S.C2H6/c1-5-2-6(9-7)4-8-3-5;1-2/h2-4H,7H2,1H3;1-2H3
InChIKeyKGUMXWRWYRXGRK-UHFFFAOYSA-N
XLogP2.38
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

S-(5-methoxy-3-pyridinyl)thiohydroxylamine
CID 134532168
CID 174996178
CID 174996178
ethane;3-fluoro-5-methylpyridine
CID 142820910
ethane;5-methylpyridine-3-thiol
CID 144877949
3-benzylsulfanyl-5-methylpyridine
CID 58349834
S-(3-methylphenyl)thiohydroxylamine;pentahydrofluoride
CID 173046661
5-methylpyridine-3-carbothioamide
CID 82667995
ethane;5-methylpyrimidine
CID 91482227
3-(2,6-dimethylphenyl)-5-methylpyridine
CID 146182914
ethane;2-methyl-4-(5-methyl-3-pyridinyl)but-3-yn-2-amine
CID 145473104
3-methyl-5-(trifluoromethyl)pyridine
CID 143745835
3-methyl-5-(2-nitrosopropan-2-yl)pyridine
CID 134423592

Frequently Asked Questions

What is the IUPAC name of ethane;S-(5-methyl-3-pyridinyl)thiohydroxylamine?
The IUPAC name of ethane;S-(5-methyl-3-pyridinyl)thiohydroxylamine (CID 166471410) is ethane;S-(5-methyl-3-pyridinyl)thiohydroxylamine.
What is the SMILES notation for ethane;S-(5-methyl-3-pyridinyl)thiohydroxylamine?
The canonical SMILES for ethane;S-(5-methyl-3-pyridinyl)thiohydroxylamine is CC.Cc1cncc(SN)c1.
What is the InChIKey of ethane;S-(5-methyl-3-pyridinyl)thiohydroxylamine?
The InChIKey is KGUMXWRWYRXGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2S.C2H6/c1-5-2-6(9-7)4-8-3-5;1-2/h2-4H,7H2,1H3;1-2H3.
What are the key properties of ethane;S-(5-methyl-3-pyridinyl)thiohydroxylamine?
ethane;S-(5-methyl-3-pyridinyl)thiohydroxylamine has a molecular weight of 170.28 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;S-(5-methyl-3-pyridinyl)thiohydroxylamine is sourced from PubChem (CID 166471410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).