CID 126574598

C3H10N2O2S — CID 126574598

IUPAC—
SMILESCCCN.N=S(=O)=O
InChIInChI=1S/C3H9N.HNO2S/c1-2-3-4;1-4(2)3/h2-4H2,1H3;1H
InChIKeyJQLPRWIJXZOVIO-UHFFFAOYSA-N
MW138.19 g/mol
LogP-0.02
Rot. Bonds1

About CID 126574598

CID 126574598 (PubChem CID 126574598) has the molecular formula C3H10N2O2S and a molecular weight of 138.19 g/mol.

Molecular Properties

Compound NameCID 126574598
PubChem CID126574598
Molecular FormulaC3H10N2O2S
Molecular Weight138.19 g/mol
Exact Mass138.05
IUPAC Name—
SMILESCCCN.N=S(=O)=O
InChIInChI=1S/C3H9N.HNO2S/c1-2-3-4;1-4(2)3/h2-4H2,1H3;1H
InChIKeyJQLPRWIJXZOVIO-UHFFFAOYSA-N
XLogP-0.02
TPSA84.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.19
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 126574598?
The IUPAC name of CID 126574598 (CID 126574598) is not available.
What is the SMILES notation for CID 126574598?
The canonical SMILES for CID 126574598 is CCCN.N=S(=O)=O.
What is the InChIKey of CID 126574598?
The InChIKey is JQLPRWIJXZOVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N.HNO2S/c1-2-3-4;1-4(2)3/h2-4H2,1H3;1H.
What are the key properties of CID 126574598?
CID 126574598 has a molecular weight of 138.19 g/mol, XLogP of -0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 126574598 is sourced from PubChem (CID 126574598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).