sulfane;sulfonylurea;urea

C2H8N4O4S2 — CID 159945588

IUPACsulfane;sulfonylurea;urea
SMILESNC(=O)N=S(=O)=O.NC(N)=O.S
InChIInChI=1S/CH2N2O3S.CH4N2O.H2S/c2-1(4)3-7(5)6;2-1(3)4;/h(H2,2,4);(H4,2,3,4);1H2
InChIKeyAUVCFACDVVWTHO-UHFFFAOYSA-N
MW216.24 g/mol
LogP-1.74
Rot. Bonds

About sulfane;sulfonylurea;urea

sulfane;sulfonylurea;urea (PubChem CID 159945588) has the molecular formula C2H8N4O4S2 and a molecular weight of 216.24 g/mol. Its IUPAC name is sulfane;sulfonylurea;urea.

Molecular Properties

Compound Namesulfane;sulfonylurea;urea
PubChem CID159945588
Molecular FormulaC2H8N4O4S2
Molecular Weight216.24 g/mol
Exact Mass216.00
IUPAC Namesulfane;sulfonylurea;urea
SMILESNC(=O)N=S(=O)=O.NC(N)=O.S
InChIInChI=1S/CH2N2O3S.CH4N2O.H2S/c2-1(4)3-7(5)6;2-1(3)4;/h(H2,2,4);(H4,2,3,4);1H2
InChIKeyAUVCFACDVVWTHO-UHFFFAOYSA-N
XLogP-1.74
TPSA158.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-1.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of sulfane;sulfonylurea;urea?
The IUPAC name of sulfane;sulfonylurea;urea (CID 159945588) is sulfane;sulfonylurea;urea.
What is the SMILES notation for sulfane;sulfonylurea;urea?
The canonical SMILES for sulfane;sulfonylurea;urea is NC(=O)N=S(=O)=O.NC(N)=O.S.
What is the InChIKey of sulfane;sulfonylurea;urea?
The InChIKey is AUVCFACDVVWTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2N2O3S.CH4N2O.H2S/c2-1(4)3-7(5)6;2-1(3)4;/h(H2,2,4);(H4,2,3,4);1H2.
What are the key properties of sulfane;sulfonylurea;urea?
sulfane;sulfonylurea;urea has a molecular weight of 216.24 g/mol, XLogP of -1.74, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sulfane;sulfonylurea;urea is sourced from PubChem (CID 159945588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).