[amino(pyridin-4-ylmethylsulfanyl)methylidene]azanium

C7H10N3S+ — CID 59002606

IUPAC[amino(pyridin-4-ylmethylsulfanyl)methylidene]azanium
SMILESNC(=[NH2+])SCc1ccncc1
InChIInChI=1S/C7H9N3S/c8-7(9)11-5-6-1-3-10-4-2-6/h1-4H,5H2,(H3,8,9)/p+1
InChIKeyLVEMROJFCIAJIX-UHFFFAOYSA-O
MW168.25 g/mol
LogP-0.61
Rot. Bonds2

About [amino(pyridin-4-ylmethylsulfanyl)methylidene]azanium

[amino(pyridin-4-ylmethylsulfanyl)methylidene]azanium (PubChem CID 59002606) has the molecular formula C7H10N3S+ and a molecular weight of 168.25 g/mol. Its IUPAC name is [amino(pyridin-4-ylmethylsulfanyl)methylidene]azanium.

Molecular Properties

Compound Name[amino(pyridin-4-ylmethylsulfanyl)methylidene]azanium
PubChem CID59002606
Molecular FormulaC7H10N3S+
Molecular Weight168.25 g/mol
Exact Mass168.06
IUPAC Name[amino(pyridin-4-ylmethylsulfanyl)methylidene]azanium
SMILESNC(=[NH2+])SCc1ccncc1
InChIInChI=1S/C7H9N3S/c8-7(9)11-5-6-1-3-10-4-2-6/h1-4H,5H2,(H3,8,9)/p+1
InChIKeyLVEMROJFCIAJIX-UHFFFAOYSA-O
XLogP-0.61
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.25
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-pyridin-4-ylethanimidamide
CID 5078674
(E)-5-pyridin-4-ylpent-2-en-3-amine
CID 142584319
4-(pyridin-4-ylsulfanylmethyl)aniline
CID 18005148
2-(pyridin-4-ylmethyl)guanidine;tetrahydrochloride
CID 23471478
2-pyridin-4-ylethylidenehydrazine
CID 70447853
2,4,6-tris(pyridin-4-ylmethylsulfanyl)-1,3,5-triazine;hydrate
CID 139067885
2-(pyridin-4-ylmethylsulfanyl)aniline
CID 12618215
2-(pyridin-4-ylmethylsulfanyl)pyrimidine
CID 13232441
CID 174107142
CID 174107142
4-[5-(pyridin-4-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]benzenecarbothioamide
CID 1459183
4-(prop-2-enylsulfanylmethyl)pyridine
CID 143854825
4-(2-pyridin-4-ylethyl)pyridine;hydrochloride
CID 18530302

Frequently Asked Questions

What is the IUPAC name of [amino(pyridin-4-ylmethylsulfanyl)methylidene]azanium?
The IUPAC name of [amino(pyridin-4-ylmethylsulfanyl)methylidene]azanium (CID 59002606) is [amino(pyridin-4-ylmethylsulfanyl)methylidene]azanium.
What is the SMILES notation for [amino(pyridin-4-ylmethylsulfanyl)methylidene]azanium?
The canonical SMILES for [amino(pyridin-4-ylmethylsulfanyl)methylidene]azanium is NC(=[NH2+])SCc1ccncc1.
What is the InChIKey of [amino(pyridin-4-ylmethylsulfanyl)methylidene]azanium?
The InChIKey is LVEMROJFCIAJIX-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H9N3S/c8-7(9)11-5-6-1-3-10-4-2-6/h1-4H,5H2,(H3,8,9)/p+1.
What are the key properties of [amino(pyridin-4-ylmethylsulfanyl)methylidene]azanium?
[amino(pyridin-4-ylmethylsulfanyl)methylidene]azanium has a molecular weight of 168.25 g/mol, XLogP of -0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(pyridin-4-ylmethylsulfanyl)methylidene]azanium is sourced from PubChem (CID 59002606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).