[amino(pyridin-2-ylsulfanyl)methylidene]azanium chloride

C6H8ClN3S — CID 15311715

IUPAC[amino(pyridin-2-ylsulfanyl)methylidene]azanium chloride
SMILESNC(=[NH2+])Sc1ccccn1.[Cl-]
InChIInChI=1S/C6H7N3S.ClH/c7-6(8)10-5-3-1-2-4-9-5;/h1-4H,(H3,7,8);1H
InChIKeyXRUUNFWWPWRBLX-UHFFFAOYSA-N
MW189.67 g/mol
LogP-3.75
Rot. Bonds1

About [amino(pyridin-2-ylsulfanyl)methylidene]azanium chloride

[amino(pyridin-2-ylsulfanyl)methylidene]azanium chloride (PubChem CID 15311715) has the molecular formula C6H8ClN3S and a molecular weight of 189.67 g/mol. Its IUPAC name is [amino(pyridin-2-ylsulfanyl)methylidene]azanium chloride.

Molecular Properties

Compound Name[amino(pyridin-2-ylsulfanyl)methylidene]azanium chloride
PubChem CID15311715
Molecular FormulaC6H8ClN3S
Molecular Weight189.67 g/mol
Exact Mass189.01
IUPAC Name[amino(pyridin-2-ylsulfanyl)methylidene]azanium chloride
SMILESNC(=[NH2+])Sc1ccccn1.[Cl-]
InChIInChI=1S/C6H7N3S.ClH/c7-6(8)10-5-3-1-2-4-9-5;/h1-4H,(H3,7,8);1H
InChIKeyXRUUNFWWPWRBLX-UHFFFAOYSA-N
XLogP-3.75
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.67
LogP ≤ 5-3.75
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

(E)-1-pyridin-2-ylsulfanylprop-1-en-1-ol
CID 88974349
2-hydroxysulfanylpyridine
CID 12046445
S-pyridin-2-yl pyridine-2-carbothioate
CID 121216656
2-(pyridin-2-yldisulfanyl)pyridine;tin(4+);tetrachloride
CID 21452483
ethene;2-(pyridin-2-yldisulfanyl)pyridine
CID 130237828
2-sulfidosulfanylpyridine
CID 102510943
O-pyridin-2-yl pyridin-2-ylsulfanylmethanethioate
CID 87588194
2-(pyridin-2-ylhexasulfanyl)pyridine
CID 87930543
2-(disulfanyl)pyridine;mercury
CID 174835661
S-pyridin-2-yl 2-chloropyridine-3-carbothioate
CID 71422259
pyridin-2-ylsulfanylmethylboronic acid
CID 53216397
S-pyridin-2-yl pent-4-ynethioate
CID 58762612

Frequently Asked Questions

What is the IUPAC name of [amino(pyridin-2-ylsulfanyl)methylidene]azanium chloride?
The IUPAC name of [amino(pyridin-2-ylsulfanyl)methylidene]azanium chloride (CID 15311715) is [amino(pyridin-2-ylsulfanyl)methylidene]azanium chloride.
What is the SMILES notation for [amino(pyridin-2-ylsulfanyl)methylidene]azanium chloride?
The canonical SMILES for [amino(pyridin-2-ylsulfanyl)methylidene]azanium chloride is NC(=[NH2+])Sc1ccccn1.[Cl-].
What is the InChIKey of [amino(pyridin-2-ylsulfanyl)methylidene]azanium chloride?
The InChIKey is XRUUNFWWPWRBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3S.ClH/c7-6(8)10-5-3-1-2-4-9-5;/h1-4H,(H3,7,8);1H.
What are the key properties of [amino(pyridin-2-ylsulfanyl)methylidene]azanium chloride?
[amino(pyridin-2-ylsulfanyl)methylidene]azanium chloride has a molecular weight of 189.67 g/mol, XLogP of -3.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(pyridin-2-ylsulfanyl)methylidene]azanium chloride is sourced from PubChem (CID 15311715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).