(Z)-(diaminomethylideneamino)-(2-phenylsulfanylethylidene)azanium

C9H13N4S+ — CID 11895940

IUPAC(Z)-(diaminomethylideneamino)-(2-phenylsulfanylethylidene)azanium
SMILESNC(N)=N/[NH+]=C\CSc1ccccc1
InChIInChI=1S/C9H12N4S/c10-9(11)13-12-6-7-14-8-4-2-1-3-5-8/h1-6H,7H2,(H4,10,11,13)/p+1/b12-6-
InChIKeyLYIBHDAMYQOXNS-SDQBBNPISA-O
MW209.30 g/mol
LogP-0.88
Rot. Bonds4

About (Z)-(diaminomethylideneamino)-(2-phenylsulfanylethylidene)azanium

(Z)-(diaminomethylideneamino)-(2-phenylsulfanylethylidene)azanium (PubChem CID 11895940) has the molecular formula C9H13N4S+ and a molecular weight of 209.30 g/mol. Its IUPAC name is (Z)-(diaminomethylideneamino)-(2-phenylsulfanylethylidene)azanium.

Molecular Properties

Compound Name(Z)-(diaminomethylideneamino)-(2-phenylsulfanylethylidene)azanium
PubChem CID11895940
Molecular FormulaC9H13N4S+
Molecular Weight209.30 g/mol
Exact Mass209.09
IUPAC Name(Z)-(diaminomethylideneamino)-(2-phenylsulfanylethylidene)azanium
SMILESNC(N)=N/[NH+]=C\CSc1ccccc1
InChIInChI=1S/C9H12N4S/c10-9(11)13-12-6-7-14-8-4-2-1-3-5-8/h1-6H,7H2,(H4,10,11,13)/p+1/b12-6-
InChIKeyLYIBHDAMYQOXNS-SDQBBNPISA-O
XLogP-0.88
TPSA78.37 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
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'}

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Related Compounds

2-(phenylsulfanylmethyl)guanidine
CID 54067795
[(Z)-3-chloroprop-2-enyl]sulfanylbenzene
CID 6092909
phenylsulfanylmethylboronic acid
CID 12841186
2-phenylsulfanylguanidine
CID 18506745
5-phenylsulfanylpent-3-en-2-one
CID 57042164
(E)-2-methyl-4-phenylsulfanylbut-2-enal
CID 11264002
(Z)-anthracen-9-ylmethylidene-(diaminomethylideneamino)azanium
CID 11862164
[(Z)-3,5,5-trichloropent-2-enyl]sulfanylbenzene
CID 23264695
bis[2-(furan-2-yl)ethyl]-(2-phenylsulfanylethyl)-sulfanylidene-λ5-phosphane
CID 122223842
ethane;phenylsulfanylmethylsulfanylbenzene
CID 158144370
(2S)-2-phenyl-3-phenylsulfanylpropanamide
CID 59979029
2-phenylsulfanylethanol;prop-2-enoic acid
CID 175060305

Frequently Asked Questions

What is the IUPAC name of (Z)-(diaminomethylideneamino)-(2-phenylsulfanylethylidene)azanium?
The IUPAC name of (Z)-(diaminomethylideneamino)-(2-phenylsulfanylethylidene)azanium (CID 11895940) is (Z)-(diaminomethylideneamino)-(2-phenylsulfanylethylidene)azanium.
What is the SMILES notation for (Z)-(diaminomethylideneamino)-(2-phenylsulfanylethylidene)azanium?
The canonical SMILES for (Z)-(diaminomethylideneamino)-(2-phenylsulfanylethylidene)azanium is NC(N)=N/[NH+]=C\CSc1ccccc1.
What is the InChIKey of (Z)-(diaminomethylideneamino)-(2-phenylsulfanylethylidene)azanium?
The InChIKey is LYIBHDAMYQOXNS-SDQBBNPISA-O. The full InChI is InChI=1S/C9H12N4S/c10-9(11)13-12-6-7-14-8-4-2-1-3-5-8/h1-6H,7H2,(H4,10,11,13)/p+1/b12-6-.
What are the key properties of (Z)-(diaminomethylideneamino)-(2-phenylsulfanylethylidene)azanium?
(Z)-(diaminomethylideneamino)-(2-phenylsulfanylethylidene)azanium has a molecular weight of 209.30 g/mol, XLogP of -0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-(diaminomethylideneamino)-(2-phenylsulfanylethylidene)azanium is sourced from PubChem (CID 11895940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).