CID 174521162

C2H6N2O4S2 — CID 174521162

IUPAC—
SMILESN#CCN.O=S(O)S(=O)O
InChIInChI=1S/C2H4N2.H2O4S2/c3-1-2-4;1-5(2)6(3)4/h1,3H2;(H,1,2)(H,3,4)
InChIKeySPHBFOOSUVRSFT-UHFFFAOYSA-N
MW186.21 g/mol
LogP-1.19
Rot. Bonds1

About CID 174521162

CID 174521162 (PubChem CID 174521162) has the molecular formula C2H6N2O4S2 and a molecular weight of 186.21 g/mol.

Molecular Properties

Compound NameCID 174521162
PubChem CID174521162
Molecular FormulaC2H6N2O4S2
Molecular Weight186.21 g/mol
Exact Mass185.98
IUPAC Name—
SMILESN#CCN.O=S(O)S(=O)O
InChIInChI=1S/C2H4N2.H2O4S2/c3-1-2-4;1-5(2)6(3)4/h1,3H2;(H,1,2)(H,3,4)
InChIKeySPHBFOOSUVRSFT-UHFFFAOYSA-N
XLogP-1.19
TPSA124.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 174521162?
The IUPAC name of CID 174521162 (CID 174521162) is not available.
What is the SMILES notation for CID 174521162?
The canonical SMILES for CID 174521162 is N#CCN.O=S(O)S(=O)O.
What is the InChIKey of CID 174521162?
The InChIKey is SPHBFOOSUVRSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N2.H2O4S2/c3-1-2-4;1-5(2)6(3)4/h1,3H2;(H,1,2)(H,3,4).
What are the key properties of CID 174521162?
CID 174521162 has a molecular weight of 186.21 g/mol, XLogP of -1.19, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174521162 is sourced from PubChem (CID 174521162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).