(NZ)-N-(1-ethylsulfanyl-3-sulfanylpropan-2-ylidene)hydroxylamine

C5H11NOS2 — CID 163384576

IUPAC(NZ)-N-(1-ethylsulfanyl-3-sulfanylpropan-2-ylidene)hydroxylamine
SMILESCCSC/C(CS)=N\O
InChIInChI=1S/C5H11NOS2/c1-2-9-4-5(3-8)6-7/h7-8H,2-4H2,1H3/b6-5-
InChIKeyWAKVQDDGIZGSKQ-WAYWQWQTSA-N
MW165.28 g/mol
LogP1.50
Rot. Bonds4

About (NZ)-N-(1-ethylsulfanyl-3-sulfanylpropan-2-ylidene)hydroxylamine

(NZ)-N-(1-ethylsulfanyl-3-sulfanylpropan-2-ylidene)hydroxylamine (PubChem CID 163384576) has the molecular formula C5H11NOS2 and a molecular weight of 165.28 g/mol. Its IUPAC name is (NZ)-N-(1-ethylsulfanyl-3-sulfanylpropan-2-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(1-ethylsulfanyl-3-sulfanylpropan-2-ylidene)hydroxylamine
PubChem CID163384576
Molecular FormulaC5H11NOS2
Molecular Weight165.28 g/mol
Exact Mass165.03
IUPAC Name(NZ)-N-(1-ethylsulfanyl-3-sulfanylpropan-2-ylidene)hydroxylamine
SMILESCCSC/C(CS)=N\O
InChIInChI=1S/C5H11NOS2/c1-2-9-4-5(3-8)6-7/h7-8H,2-4H2,1H3/b6-5-
InChIKeyWAKVQDDGIZGSKQ-WAYWQWQTSA-N
XLogP1.50
TPSA32.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 (NZ)-N-(1-ethylsulfanyl-3-sulfanylpropan-2-ylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(1-ethylsulfanyl-3-sulfanylpropan-2-ylidene)hydroxylamine (CID 163384576) is (NZ)-N-(1-ethylsulfanyl-3-sulfanylpropan-2-ylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(1-ethylsulfanyl-3-sulfanylpropan-2-ylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(1-ethylsulfanyl-3-sulfanylpropan-2-ylidene)hydroxylamine is CCSC/C(CS)=N\O.
What is the InChIKey of (NZ)-N-(1-ethylsulfanyl-3-sulfanylpropan-2-ylidene)hydroxylamine?
The InChIKey is WAKVQDDGIZGSKQ-WAYWQWQTSA-N. The full InChI is InChI=1S/C5H11NOS2/c1-2-9-4-5(3-8)6-7/h7-8H,2-4H2,1H3/b6-5-.
What are the key properties of (NZ)-N-(1-ethylsulfanyl-3-sulfanylpropan-2-ylidene)hydroxylamine?
(NZ)-N-(1-ethylsulfanyl-3-sulfanylpropan-2-ylidene)hydroxylamine has a molecular weight of 165.28 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(1-ethylsulfanyl-3-sulfanylpropan-2-ylidene)hydroxylamine is sourced from PubChem (CID 163384576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).