(E)-ethylidenethiourea;oxozinc

C3H6N2OSZn — CID 155670628

IUPAC(E)-ethylidenethiourea;oxozinc
SMILESC/C=N/C(N)=S.O=[Zn]
InChIInChI=1S/C3H6N2S.O.Zn/c1-2-5-3(4)6;;/h2H,1H3,(H2,4,6);;/b5-2+;;
InChIKeyKXOBUSNYYXZBSB-OPIVVEOKSA-N
MW183.55 g/mol
LogP0.20
Rot. Bonds

About (E)-ethylidenethiourea;oxozinc

(E)-ethylidenethiourea;oxozinc (PubChem CID 155670628) has the molecular formula C3H6N2OSZn and a molecular weight of 183.55 g/mol. Its IUPAC name is (E)-ethylidenethiourea;oxozinc.

Molecular Properties

Compound Name(E)-ethylidenethiourea;oxozinc
PubChem CID155670628
Molecular FormulaC3H6N2OSZn
Molecular Weight183.55 g/mol
Exact Mass181.95
IUPAC Name(E)-ethylidenethiourea;oxozinc
SMILESC/C=N/C(N)=S.O=[Zn]
InChIInChI=1S/C3H6N2S.O.Zn/c1-2-5-3(4)6;;/h2H,1H3,(H2,4,6);;/b5-2+;;
InChIKeyKXOBUSNYYXZBSB-OPIVVEOKSA-N
XLogP0.20
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.55
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-ethylidenethiourea;oxozinc?
The IUPAC name of (E)-ethylidenethiourea;oxozinc (CID 155670628) is (E)-ethylidenethiourea;oxozinc.
What is the SMILES notation for (E)-ethylidenethiourea;oxozinc?
The canonical SMILES for (E)-ethylidenethiourea;oxozinc is C/C=N/C(N)=S.O=[Zn].
What is the InChIKey of (E)-ethylidenethiourea;oxozinc?
The InChIKey is KXOBUSNYYXZBSB-OPIVVEOKSA-N. The full InChI is InChI=1S/C3H6N2S.O.Zn/c1-2-5-3(4)6;;/h2H,1H3,(H2,4,6);;/b5-2+;;.
What are the key properties of (E)-ethylidenethiourea;oxozinc?
(E)-ethylidenethiourea;oxozinc has a molecular weight of 183.55 g/mol, XLogP of 0.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-ethylidenethiourea;oxozinc is sourced from PubChem (CID 155670628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).