CID 172688574

CH2MgN2O3S — CID 172688574

IUPAC—
SMILESNC(=O)N=S(=O)=O.[Mg]
InChIInChI=1S/CH2N2O3S.Mg/c2-1(4)3-7(5)6;/h(H2,2,4);
InChIKeyBJCRTCKLGZRPEA-UHFFFAOYSA-N
MW146.41 g/mol
LogP-1.25
Rot. Bonds

About CID 172688574

CID 172688574 (PubChem CID 172688574) has the molecular formula CH2MgN2O3S and a molecular weight of 146.41 g/mol.

Molecular Properties

Compound NameCID 172688574
PubChem CID172688574
Molecular FormulaCH2MgN2O3S
Molecular Weight146.41 g/mol
Exact Mass145.96
IUPAC Name—
SMILESNC(=O)N=S(=O)=O.[Mg]
InChIInChI=1S/CH2N2O3S.Mg/c2-1(4)3-7(5)6;/h(H2,2,4);
InChIKeyBJCRTCKLGZRPEA-UHFFFAOYSA-N
XLogP-1.25
TPSA89.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.41
LogP ≤ 5-1.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 172688574?
The IUPAC name of CID 172688574 (CID 172688574) is not available.
What is the SMILES notation for CID 172688574?
The canonical SMILES for CID 172688574 is NC(=O)N=S(=O)=O.[Mg].
What is the InChIKey of CID 172688574?
The InChIKey is BJCRTCKLGZRPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2N2O3S.Mg/c2-1(4)3-7(5)6;/h(H2,2,4);.
What are the key properties of CID 172688574?
CID 172688574 has a molecular weight of 146.41 g/mol, XLogP of -1.25, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172688574 is sourced from PubChem (CID 172688574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).