(1Z,3E)-5-[[3-(methylideneamino)-4-pyridinyl]sulfanyl]-1-nitrosopenta-1,3-diene-1-thiol

C11H11N3OS2 — CID 143408171

IUPAC(1Z,3E)-5-[[3-(methylideneamino)-4-pyridinyl]sulfanyl]-1-nitrosopenta-1,3-diene-1-thiol
SMILESC=Nc1cnccc1SC/C=C/C=C(\S)N=O
InChIInChI=1S/C11H11N3OS2/c1-12-9-8-13-6-5-10(9)17-7-3-2-4-11(16)14-15/h2-6,8,16H,1,7H2/b3-2+,11-4-
InChIKeySBYIVDUQEMKYPU-ICKRUQPGSA-N
MW265.36 g/mol
LogP3.60
Rot. Bonds6

About (1Z,3E)-5-[[3-(methylideneamino)-4-pyridinyl]sulfanyl]-1-nitrosopenta-1,3-diene-1-thiol

(1Z,3E)-5-[[3-(methylideneamino)-4-pyridinyl]sulfanyl]-1-nitrosopenta-1,3-diene-1-thiol (PubChem CID 143408171) has the molecular formula C11H11N3OS2 and a molecular weight of 265.36 g/mol. Its IUPAC name is (1Z,3E)-5-[[3-(methylideneamino)-4-pyridinyl]sulfanyl]-1-nitrosopenta-1,3-diene-1-thiol.

Molecular Properties

Compound Name(1Z,3E)-5-[[3-(methylideneamino)-4-pyridinyl]sulfanyl]-1-nitrosopenta-1,3-diene-1-thiol
PubChem CID143408171
Molecular FormulaC11H11N3OS2
Molecular Weight265.36 g/mol
Exact Mass265.03
IUPAC Name(1Z,3E)-5-[[3-(methylideneamino)-4-pyridinyl]sulfanyl]-1-nitrosopenta-1,3-diene-1-thiol
SMILESC=Nc1cnccc1SC/C=C/C=C(\S)N=O
InChIInChI=1S/C11H11N3OS2/c1-12-9-8-13-6-5-10(9)17-7-3-2-4-11(16)14-15/h2-6,8,16H,1,7H2/b3-2+,11-4-
InChIKeySBYIVDUQEMKYPU-ICKRUQPGSA-N
XLogP3.60
TPSA54.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (1Z,3E)-5-[[3-(methylideneamino)-4-pyridinyl]sulfanyl]-1-nitrosopenta-1,3-diene-1-thiol with MolForge

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Related Compounds

(1Z,3E)-5-[(3-amino-4-pyridinyl)sulfanyl]-1-nitropenta-1,3-diene-1-thiol
CID 143408863
N-[3-(1-chloroethenyl)-4-pyridinyl]methanimine
CID 143092899
4-[(E)-3-phenylprop-2-enyl]sulfanylpyridin-3-amine
CID 43300182
N-[4-[[4-(methylideneamino)-3-pyridinyl]sulfanylmethyl]cyclohepta-1,4,6-trien-1-yl]formamide
CID 143288299
3-bromo-4-(3-chloropropylsulfanyl)pyridine
CID 104777345
2-[(3-bromo-4-pyridinyl)sulfanyl]acetic acid
CID 104776610
4-(2-hydroxyethylsulfanyl)pyridine-3-carboxylic acid
CID 79007092
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(3-methylbutyl)acetamide
CID 43299915
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methylbutan-2-yl)acetamide
CID 43299864
2-[(3-amino-4-pyridinyl)sulfanyl]-N-cycloheptylacetamide
CID 43299948
4-(methyldisulfanyl)pyridine-3-carboxylic acid
CID 135338592
4-methylsulfanylpyridine-3-carbaldehyde
CID 12956352

Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-5-[[3-(methylideneamino)-4-pyridinyl]sulfanyl]-1-nitrosopenta-1,3-diene-1-thiol?
The IUPAC name of (1Z,3E)-5-[[3-(methylideneamino)-4-pyridinyl]sulfanyl]-1-nitrosopenta-1,3-diene-1-thiol (CID 143408171) is (1Z,3E)-5-[[3-(methylideneamino)-4-pyridinyl]sulfanyl]-1-nitrosopenta-1,3-diene-1-thiol.
What is the SMILES notation for (1Z,3E)-5-[[3-(methylideneamino)-4-pyridinyl]sulfanyl]-1-nitrosopenta-1,3-diene-1-thiol?
The canonical SMILES for (1Z,3E)-5-[[3-(methylideneamino)-4-pyridinyl]sulfanyl]-1-nitrosopenta-1,3-diene-1-thiol is C=Nc1cnccc1SC/C=C/C=C(\S)N=O.
What is the InChIKey of (1Z,3E)-5-[[3-(methylideneamino)-4-pyridinyl]sulfanyl]-1-nitrosopenta-1,3-diene-1-thiol?
The InChIKey is SBYIVDUQEMKYPU-ICKRUQPGSA-N. The full InChI is InChI=1S/C11H11N3OS2/c1-12-9-8-13-6-5-10(9)17-7-3-2-4-11(16)14-15/h2-6,8,16H,1,7H2/b3-2+,11-4-.
What are the key properties of (1Z,3E)-5-[[3-(methylideneamino)-4-pyridinyl]sulfanyl]-1-nitrosopenta-1,3-diene-1-thiol?
(1Z,3E)-5-[[3-(methylideneamino)-4-pyridinyl]sulfanyl]-1-nitrosopenta-1,3-diene-1-thiol has a molecular weight of 265.36 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-5-[[3-(methylideneamino)-4-pyridinyl]sulfanyl]-1-nitrosopenta-1,3-diene-1-thiol is sourced from PubChem (CID 143408171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).