dibutyl (1Z,2Z)-N,N'-dihydroxyethanediimidothioate

C10H20N2O2S2 — CID 173164238

IUPACdibutyl (1Z,2Z)-N,N'-dihydroxyethanediimidothioate
SMILESCCCCSC(=N\O)/C(=N/O)SCCCC
InChIInChI=1S/C10H20N2O2S2/c1-3-5-7-15-9(11-13)10(12-14)16-8-6-4-2/h13-14H,3-8H2,1-2H3/b11-9-,12-10-
InChIKeyWAQLVZYNCKIVAG-HWAYABPNSA-N
MW264.42 g/mol
LogP3.63
Rot. Bonds6

About dibutyl (1Z,2Z)-N,N'-dihydroxyethanediimidothioate

dibutyl (1Z,2Z)-N,N'-dihydroxyethanediimidothioate (PubChem CID 173164238) has the molecular formula C10H20N2O2S2 and a molecular weight of 264.42 g/mol. Its IUPAC name is dibutyl (1Z,2Z)-N,N'-dihydroxyethanediimidothioate.

Molecular Properties

Compound Namedibutyl (1Z,2Z)-N,N'-dihydroxyethanediimidothioate
PubChem CID173164238
Molecular FormulaC10H20N2O2S2
Molecular Weight264.42 g/mol
Exact Mass264.10
IUPAC Namedibutyl (1Z,2Z)-N,N'-dihydroxyethanediimidothioate
SMILESCCCCSC(=N\O)/C(=N/O)SCCCC
InChIInChI=1S/C10H20N2O2S2/c1-3-5-7-15-9(11-13)10(12-14)16-8-6-4-2/h13-14H,3-8H2,1-2H3/b11-9-,12-10-
InChIKeyWAQLVZYNCKIVAG-HWAYABPNSA-N
XLogP3.63
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.63
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of dibutyl (1Z,2Z)-N,N'-dihydroxyethanediimidothioate?
The IUPAC name of dibutyl (1Z,2Z)-N,N'-dihydroxyethanediimidothioate (CID 173164238) is dibutyl (1Z,2Z)-N,N'-dihydroxyethanediimidothioate.
What is the SMILES notation for dibutyl (1Z,2Z)-N,N'-dihydroxyethanediimidothioate?
The canonical SMILES for dibutyl (1Z,2Z)-N,N'-dihydroxyethanediimidothioate is CCCCSC(=N\O)/C(=N/O)SCCCC.
What is the InChIKey of dibutyl (1Z,2Z)-N,N'-dihydroxyethanediimidothioate?
The InChIKey is WAQLVZYNCKIVAG-HWAYABPNSA-N. The full InChI is InChI=1S/C10H20N2O2S2/c1-3-5-7-15-9(11-13)10(12-14)16-8-6-4-2/h13-14H,3-8H2,1-2H3/b11-9-,12-10-.
What are the key properties of dibutyl (1Z,2Z)-N,N'-dihydroxyethanediimidothioate?
dibutyl (1Z,2Z)-N,N'-dihydroxyethanediimidothioate has a molecular weight of 264.42 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl (1Z,2Z)-N,N'-dihydroxyethanediimidothioate is sourced from PubChem (CID 173164238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).