butyl N-butylsulfanyloxy-2-hydroxyiminoethanimidothioate

C10H20N2O2S2 — CID 173164239

IUPACbutyl N-butylsulfanyloxy-2-hydroxyiminoethanimidothioate
SMILESCCCCSON=C(C=NO)SCCCC
InChIInChI=1S/C10H20N2O2S2/c1-3-5-7-15-10(9-11-13)12-14-16-8-6-4-2/h9,13H,3-8H2,1-2H3
InChIKeySJONUIWRHPFERQ-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.76
Rot. Bonds9

About butyl N-butylsulfanyloxy-2-hydroxyiminoethanimidothioate

butyl N-butylsulfanyloxy-2-hydroxyiminoethanimidothioate (PubChem CID 173164239) has the molecular formula C10H20N2O2S2 and a molecular weight of 264.42 g/mol. Its IUPAC name is butyl N-butylsulfanyloxy-2-hydroxyiminoethanimidothioate.

Molecular Properties

Compound Namebutyl N-butylsulfanyloxy-2-hydroxyiminoethanimidothioate
PubChem CID173164239
Molecular FormulaC10H20N2O2S2
Molecular Weight264.42 g/mol
Exact Mass264.10
IUPAC Namebutyl N-butylsulfanyloxy-2-hydroxyiminoethanimidothioate
SMILESCCCCSON=C(C=NO)SCCCC
InChIInChI=1S/C10H20N2O2S2/c1-3-5-7-15-10(9-11-13)12-14-16-8-6-4-2/h9,13H,3-8H2,1-2H3
InChIKeySJONUIWRHPFERQ-UHFFFAOYSA-N
XLogP3.76
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-N-hydroxy-C-[(E)-hydroxyiminomethyl]carbonimidoyl]sulfanylethyl (1E,2E)-N-hydroxy-2-hydroxyiminoethanimidothioate
CID 135723033
2-[N-hydroxy-C-(hydroxyiminomethyl)carbonimidoyl]sulfanylethyl N-hydroxy-2-hydroxyiminoethanimidothioate
CID 135487958
2,3-bis(butylsulfanyl)buta-1,3-diene
CID 87361196
butyl 2,2,2-trifluoro-N-hydroxyethanimidothioate
CID 71409090
1-hydroperoxysulfanylbutane;phosphoric acid
CID 88807884
methyl butylsulfanylformate
CID 18471928
CID 173271902
CID 173271902
1-prop-1-en-2-ylsulfanylbutane
CID 88558402
butylsulfanyl(propylsulfanyl)methanone
CID 101135926
2-butylsulfanylhex-2-ene
CID 71441650
(NE)-N-octylidenehydroxylamine
CID 5385260
butylsulfanyloxymethanethiol
CID 139474645

Frequently Asked Questions

What is the IUPAC name of butyl N-butylsulfanyloxy-2-hydroxyiminoethanimidothioate?
The IUPAC name of butyl N-butylsulfanyloxy-2-hydroxyiminoethanimidothioate (CID 173164239) is butyl N-butylsulfanyloxy-2-hydroxyiminoethanimidothioate.
What is the SMILES notation for butyl N-butylsulfanyloxy-2-hydroxyiminoethanimidothioate?
The canonical SMILES for butyl N-butylsulfanyloxy-2-hydroxyiminoethanimidothioate is CCCCSON=C(C=NO)SCCCC.
What is the InChIKey of butyl N-butylsulfanyloxy-2-hydroxyiminoethanimidothioate?
The InChIKey is SJONUIWRHPFERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S2/c1-3-5-7-15-10(9-11-13)12-14-16-8-6-4-2/h9,13H,3-8H2,1-2H3.
What are the key properties of butyl N-butylsulfanyloxy-2-hydroxyiminoethanimidothioate?
butyl N-butylsulfanyloxy-2-hydroxyiminoethanimidothioate has a molecular weight of 264.42 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-butylsulfanyloxy-2-hydroxyiminoethanimidothioate is sourced from PubChem (CID 173164239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).