CID 175966059

C4H7KNOS2 — CID 175966059

IUPAC—
SMILESC=COCNC(=S)S.[K]
InChIInChI=1S/C4H7NOS2.K/c1-2-6-3-5-4(7)8;/h2H,1,3H2,(H2,5,7,8);
InChIKeyITUISYRNASFWIJ-UHFFFAOYSA-N
MW188.34 g/mol
LogP0.53
Rot. Bonds3

About CID 175966059

CID 175966059 (PubChem CID 175966059) has the molecular formula C4H7KNOS2 and a molecular weight of 188.34 g/mol.

Molecular Properties

Compound NameCID 175966059
PubChem CID175966059
Molecular FormulaC4H7KNOS2
Molecular Weight188.34 g/mol
Exact Mass187.96
IUPAC Name—
SMILESC=COCNC(=S)S.[K]
InChIInChI=1S/C4H7NOS2.K/c1-2-6-3-5-4(7)8;/h2H,1,3H2,(H2,5,7,8);
InChIKeyITUISYRNASFWIJ-UHFFFAOYSA-N
XLogP0.53
TPSA21.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 175966059?
The IUPAC name of CID 175966059 (CID 175966059) is not available.
What is the SMILES notation for CID 175966059?
The canonical SMILES for CID 175966059 is C=COCNC(=S)S.[K].
What is the InChIKey of CID 175966059?
The InChIKey is ITUISYRNASFWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NOS2.K/c1-2-6-3-5-4(7)8;/h2H,1,3H2,(H2,5,7,8);.
What are the key properties of CID 175966059?
CID 175966059 has a molecular weight of 188.34 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175966059 is sourced from PubChem (CID 175966059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).