CID 154102702

H3N3O5S — CID 154102702

IUPAC—
SMILESNS(=O)(=O)N(O)[N+](=O)[O-]
InChIInChI=1S/H3N3O5S/c1-9(7,8)3(6)2(4)5/h6H,(H2,1,7,8)
InChIKeyVZLPLVYTLCNSNN-UHFFFAOYSA-N
MW157.11 g/mol
LogP-1.93
Rot. Bonds2

About CID 154102702

CID 154102702 (PubChem CID 154102702) has the molecular formula H3N3O5S and a molecular weight of 157.11 g/mol.

Molecular Properties

Compound NameCID 154102702
PubChem CID154102702
Molecular FormulaH3N3O5S
Molecular Weight157.11 g/mol
Exact Mass156.98
IUPAC Name—
SMILESNS(=O)(=O)N(O)[N+](=O)[O-]
InChIInChI=1S/H3N3O5S/c1-9(7,8)3(6)2(4)5/h6H,(H2,1,7,8)
InChIKeyVZLPLVYTLCNSNN-UHFFFAOYSA-N
XLogP-1.93
TPSA126.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.11
LogP ≤ 5-1.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 154102702?
The IUPAC name of CID 154102702 (CID 154102702) is not available.
What is the SMILES notation for CID 154102702?
The canonical SMILES for CID 154102702 is NS(=O)(=O)N(O)[N+](=O)[O-].
What is the InChIKey of CID 154102702?
The InChIKey is VZLPLVYTLCNSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/H3N3O5S/c1-9(7,8)3(6)2(4)5/h6H,(H2,1,7,8).
What are the key properties of CID 154102702?
CID 154102702 has a molecular weight of 157.11 g/mol, XLogP of -1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154102702 is sourced from PubChem (CID 154102702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).