[oxo(sulfanylidene)-λ6-sulfanylidene]urea

CH2N2O2S2 — CID 168928278

IUPAC[oxo(sulfanylidene)-λ6-sulfanylidene]urea
SMILESNC(=O)N=S(=O)=S
InChIInChI=1S/CH2N2O2S2/c2-1(4)3-7(5)6/h(H2,2,4)
InChIKeySUEGCPKJVJBQCI-UHFFFAOYSA-N
MW138.17 g/mol
LogP-0.54
Rot. Bonds

About [oxo(sulfanylidene)-λ6-sulfanylidene]urea

[oxo(sulfanylidene)-λ6-sulfanylidene]urea (PubChem CID 168928278) has the molecular formula CH2N2O2S2 and a molecular weight of 138.17 g/mol. Its IUPAC name is [oxo(sulfanylidene)-λ6-sulfanylidene]urea.

Molecular Properties

Compound Name[oxo(sulfanylidene)-λ6-sulfanylidene]urea
PubChem CID168928278
Molecular FormulaCH2N2O2S2
Molecular Weight138.17 g/mol
Exact Mass137.96
IUPAC Name[oxo(sulfanylidene)-λ6-sulfanylidene]urea
SMILESNC(=O)N=S(=O)=S
InChIInChI=1S/CH2N2O2S2/c2-1(4)3-7(5)6/h(H2,2,4)
InChIKeySUEGCPKJVJBQCI-UHFFFAOYSA-N
XLogP-0.54
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [oxo(sulfanylidene)-λ6-sulfanylidene]urea?
The IUPAC name of [oxo(sulfanylidene)-λ6-sulfanylidene]urea (CID 168928278) is [oxo(sulfanylidene)-λ6-sulfanylidene]urea.
What is the SMILES notation for [oxo(sulfanylidene)-λ6-sulfanylidene]urea?
The canonical SMILES for [oxo(sulfanylidene)-λ6-sulfanylidene]urea is NC(=O)N=S(=O)=S.
What is the InChIKey of [oxo(sulfanylidene)-λ6-sulfanylidene]urea?
The InChIKey is SUEGCPKJVJBQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2N2O2S2/c2-1(4)3-7(5)6/h(H2,2,4).
What are the key properties of [oxo(sulfanylidene)-λ6-sulfanylidene]urea?
[oxo(sulfanylidene)-λ6-sulfanylidene]urea has a molecular weight of 138.17 g/mol, XLogP of -0.54, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [oxo(sulfanylidene)-λ6-sulfanylidene]urea is sourced from PubChem (CID 168928278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).