N-[1-(disulfanyl)butan-2-ylidene]hydroxylamine

C4H9NOS2 — CID 141048207

IUPACN-[1-(disulfanyl)butan-2-ylidene]hydroxylamine
SMILESCCC(CSS)=NO
InChIInChI=1S/C4H9NOS2/c1-2-4(5-6)3-8-7/h6-7H,2-3H2,1H3
InChIKeyCMBZAJGLUOJMOT-UHFFFAOYSA-N
MW151.26 g/mol
LogP1.80
Rot. Bonds3

About N-[1-(disulfanyl)butan-2-ylidene]hydroxylamine

N-[1-(disulfanyl)butan-2-ylidene]hydroxylamine (PubChem CID 141048207) has the molecular formula C4H9NOS2 and a molecular weight of 151.26 g/mol. Its IUPAC name is N-[1-(disulfanyl)butan-2-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(disulfanyl)butan-2-ylidene]hydroxylamine
PubChem CID141048207
Molecular FormulaC4H9NOS2
Molecular Weight151.26 g/mol
Exact Mass151.01
IUPAC NameN-[1-(disulfanyl)butan-2-ylidene]hydroxylamine
SMILESCCC(CSS)=NO
InChIInChI=1S/C4H9NOS2/c1-2-4(5-6)3-8-7/h6-7H,2-3H2,1H3
InChIKeyCMBZAJGLUOJMOT-UHFFFAOYSA-N
XLogP1.80
TPSA32.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.26
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(disulfanyl)butan-2-ylidene]hydroxylamine?
The IUPAC name of N-[1-(disulfanyl)butan-2-ylidene]hydroxylamine (CID 141048207) is N-[1-(disulfanyl)butan-2-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-(disulfanyl)butan-2-ylidene]hydroxylamine?
The canonical SMILES for N-[1-(disulfanyl)butan-2-ylidene]hydroxylamine is CCC(CSS)=NO.
What is the InChIKey of N-[1-(disulfanyl)butan-2-ylidene]hydroxylamine?
The InChIKey is CMBZAJGLUOJMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NOS2/c1-2-4(5-6)3-8-7/h6-7H,2-3H2,1H3.
What are the key properties of N-[1-(disulfanyl)butan-2-ylidene]hydroxylamine?
N-[1-(disulfanyl)butan-2-ylidene]hydroxylamine has a molecular weight of 151.26 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(disulfanyl)butan-2-ylidene]hydroxylamine is sourced from PubChem (CID 141048207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).