dianilino-[bis(sulfanyl)methylidene]azanium

C13H14N3S2+ — CID 22834017

IUPACdianilino-[bis(sulfanyl)methylidene]azanium
SMILESSC(S)=[N+](Nc1ccccc1)Nc1ccccc1
InChIInChI=1S/C13H13N3S2/c17-13(18)16(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10,14-15H,(H,17,18)/p+1
InChIKeyBIDZCDAJOJBDNQ-UHFFFAOYSA-O
MW276.41 g/mol
LogP3.27
Rot. Bonds4

About dianilino-[bis(sulfanyl)methylidene]azanium

dianilino-[bis(sulfanyl)methylidene]azanium (PubChem CID 22834017) has the molecular formula C13H14N3S2+ and a molecular weight of 276.41 g/mol. Its IUPAC name is dianilino-[bis(sulfanyl)methylidene]azanium.

Molecular Properties

Compound Namedianilino-[bis(sulfanyl)methylidene]azanium
PubChem CID22834017
Molecular FormulaC13H14N3S2+
Molecular Weight276.41 g/mol
Exact Mass276.06
IUPAC Namedianilino-[bis(sulfanyl)methylidene]azanium
SMILESSC(S)=[N+](Nc1ccccc1)Nc1ccccc1
InChIInChI=1S/C13H13N3S2/c17-13(18)16(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10,14-15H,(H,17,18)/p+1
InChIKeyBIDZCDAJOJBDNQ-UHFFFAOYSA-O
XLogP3.27
TPSA27.07 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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benzene;N-phenylhydroxylamine
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ethene;phenol
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1-phenyl-2-[4-(2-phenylhydrazinyl)phenyl]hydrazine
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CID 67074378
1,2-diphenylhydrazine;hydrobromide
CID 162337860
(2S)-2-anilinopropanethioic S-acid
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2-[anilino(sulfanyl)methylidene]propanedinitrile
CID 2755556

Frequently Asked Questions

What is the IUPAC name of dianilino-[bis(sulfanyl)methylidene]azanium?
The IUPAC name of dianilino-[bis(sulfanyl)methylidene]azanium (CID 22834017) is dianilino-[bis(sulfanyl)methylidene]azanium.
What is the SMILES notation for dianilino-[bis(sulfanyl)methylidene]azanium?
The canonical SMILES for dianilino-[bis(sulfanyl)methylidene]azanium is SC(S)=[N+](Nc1ccccc1)Nc1ccccc1.
What is the InChIKey of dianilino-[bis(sulfanyl)methylidene]azanium?
The InChIKey is BIDZCDAJOJBDNQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H13N3S2/c17-13(18)16(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10,14-15H,(H,17,18)/p+1.
What are the key properties of dianilino-[bis(sulfanyl)methylidene]azanium?
dianilino-[bis(sulfanyl)methylidene]azanium has a molecular weight of 276.41 g/mol, XLogP of 3.27, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dianilino-[bis(sulfanyl)methylidene]azanium is sourced from PubChem (CID 22834017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).