S-[(1Z)-buta-1,3-dienyl]sulfanylthiohydroxylamine

C4H7NS2 — CID 89028670

IUPACS-[(1Z)-buta-1,3-dienyl]sulfanylthiohydroxylamine
SMILESC=C/C=C\SSN
InChIInChI=1S/C4H7NS2/c1-2-3-4-6-7-5/h2-4H,1,5H2/b4-3-
InChIKeyAYCSZWYMQSWSAB-ARJAWSKDSA-N
MW133.24 g/mol
LogP1.94
Rot. Bonds3

About S-[(1Z)-buta-1,3-dienyl]sulfanylthiohydroxylamine

S-[(1Z)-buta-1,3-dienyl]sulfanylthiohydroxylamine (PubChem CID 89028670) has the molecular formula C4H7NS2 and a molecular weight of 133.24 g/mol. Its IUPAC name is S-[(1Z)-buta-1,3-dienyl]sulfanylthiohydroxylamine.

Molecular Properties

Compound NameS-[(1Z)-buta-1,3-dienyl]sulfanylthiohydroxylamine
PubChem CID89028670
Molecular FormulaC4H7NS2
Molecular Weight133.24 g/mol
Exact Mass133.00
IUPAC NameS-[(1Z)-buta-1,3-dienyl]sulfanylthiohydroxylamine
SMILESC=C/C=C\SSN
InChIInChI=1S/C4H7NS2/c1-2-3-4-6-7-5/h2-4H,1,5H2/b4-3-
InChIKeyAYCSZWYMQSWSAB-ARJAWSKDSA-N
XLogP1.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.24
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-propan-2-ylsulfanylbuta-1,3-diene
CID 559219
1-ethenylsulfanylbuta-1,3-diene
CID 86260156
(1Z,3E)-1-[(1E)-buta-1,3-dienyl]sulfanylpenta-1,3-diene
CID 89037486
(3E,5E,7E,9E,11E,13E,15E)-octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 15379303
buta-1,3-dienyl(trimethyl)azanium bromide
CID 71380318
[(1Z)-buta-1,3-dienyl]sulfanylbenzene
CID 5367968
(1E,3E)-hexa-1,3,5-trien-1-amine
CID 19883152
(1E,3E,5E)-octa-1,3,5,7-tetraen-1-amine
CID 102095281
ethane;ethene;(3E)-hexa-1,3,5-triene
CID 91058254
CID 134898449
CID 134898449
buta-1,3-diene;hydrazine
CID 159339609
2-methylsulfanylhexa-1,3,5-triene
CID 123672655

Frequently Asked Questions

What is the IUPAC name of S-[(1Z)-buta-1,3-dienyl]sulfanylthiohydroxylamine?
The IUPAC name of S-[(1Z)-buta-1,3-dienyl]sulfanylthiohydroxylamine (CID 89028670) is S-[(1Z)-buta-1,3-dienyl]sulfanylthiohydroxylamine.
What is the SMILES notation for S-[(1Z)-buta-1,3-dienyl]sulfanylthiohydroxylamine?
The canonical SMILES for S-[(1Z)-buta-1,3-dienyl]sulfanylthiohydroxylamine is C=C/C=C\SSN.
What is the InChIKey of S-[(1Z)-buta-1,3-dienyl]sulfanylthiohydroxylamine?
The InChIKey is AYCSZWYMQSWSAB-ARJAWSKDSA-N. The full InChI is InChI=1S/C4H7NS2/c1-2-3-4-6-7-5/h2-4H,1,5H2/b4-3-.
What are the key properties of S-[(1Z)-buta-1,3-dienyl]sulfanylthiohydroxylamine?
S-[(1Z)-buta-1,3-dienyl]sulfanylthiohydroxylamine has a molecular weight of 133.24 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-[(1Z)-buta-1,3-dienyl]sulfanylthiohydroxylamine is sourced from PubChem (CID 89028670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).