CID 158546995

H6N2S3 — CID 158546995

IUPAC—
SMILESNN.SSS
InChIInChI=1S/H4N2.H2S3/c1-2;1-3-2/h1-2H2;1-2H
InChIKeyHPFXWMKILVPXTD-UHFFFAOYSA-N
MW130.26 g/mol
LogP0.23
Rot. Bonds

About CID 158546995

CID 158546995 (PubChem CID 158546995) has the molecular formula H6N2S3 and a molecular weight of 130.26 g/mol.

Molecular Properties

Compound NameCID 158546995
PubChem CID158546995
Molecular FormulaH6N2S3
Molecular Weight130.26 g/mol
Exact Mass129.97
IUPAC Name—
SMILESNN.SSS
InChIInChI=1S/H4N2.H2S3/c1-2;1-3-2/h1-2H2;1-2H
InChIKeyHPFXWMKILVPXTD-UHFFFAOYSA-N
XLogP0.23
TPSA52.04 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.26
LogP ≤ 50.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 158546995?
The IUPAC name of CID 158546995 (CID 158546995) is not available.
What is the SMILES notation for CID 158546995?
The canonical SMILES for CID 158546995 is NN.SSS.
What is the InChIKey of CID 158546995?
The InChIKey is HPFXWMKILVPXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/H4N2.H2S3/c1-2;1-3-2/h1-2H2;1-2H.
What are the key properties of CID 158546995?
CID 158546995 has a molecular weight of 130.26 g/mol, XLogP of 0.23, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158546995 is sourced from PubChem (CID 158546995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).