CID 87631998

C4H6N2O2S — CID 87631998

IUPAC—
SMILESN#CC1CC1.N=S(=O)=O
InChIInChI=1S/C4H5N.HNO2S/c5-3-4-1-2-4;1-4(2)3/h4H,1-2H2;1H
InChIKeyZNFCESIWVUWRGA-UHFFFAOYSA-N
MW146.17 g/mol
LogP0.55
Rot. Bonds

About CID 87631998

CID 87631998 (PubChem CID 87631998) has the molecular formula C4H6N2O2S and a molecular weight of 146.17 g/mol.

Molecular Properties

Compound NameCID 87631998
PubChem CID87631998
Molecular FormulaC4H6N2O2S
Molecular Weight146.17 g/mol
Exact Mass146.01
IUPAC Name—
SMILESN#CC1CC1.N=S(=O)=O
InChIInChI=1S/C4H5N.HNO2S/c5-3-4-1-2-4;1-4(2)3/h4H,1-2H2;1H
InChIKeyZNFCESIWVUWRGA-UHFFFAOYSA-N
XLogP0.55
TPSA81.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.17
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 87631998?
The IUPAC name of CID 87631998 (CID 87631998) is not available.
What is the SMILES notation for CID 87631998?
The canonical SMILES for CID 87631998 is N#CC1CC1.N=S(=O)=O.
What is the InChIKey of CID 87631998?
The InChIKey is ZNFCESIWVUWRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N.HNO2S/c5-3-4-1-2-4;1-4(2)3/h4H,1-2H2;1H.
What are the key properties of CID 87631998?
CID 87631998 has a molecular weight of 146.17 g/mol, XLogP of 0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87631998 is sourced from PubChem (CID 87631998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).