(5Z,7Z)-4,9-dihydro-3H-1,3-thiazonine-2-thione

C7H9NS2 — CID 88918973

IUPAC(5Z,7Z)-4,9-dihydro-3H-1,3-thiazonine-2-thione
SMILESS=C1NC/C=C\C=C/CS1
InChIInChI=1S/C7H9NS2/c9-7-8-5-3-1-2-4-6-10-7/h1-4H,5-6H2,(H,8,9)/b3-1-,4-2-
InChIKeyYQGLUSUSWBIJSR-CCAGOZQPSA-N
MW171.29 g/mol
LogP1.72
Rot. Bonds

About (5Z,7Z)-4,9-dihydro-3H-1,3-thiazonine-2-thione

(5Z,7Z)-4,9-dihydro-3H-1,3-thiazonine-2-thione (PubChem CID 88918973) has the molecular formula C7H9NS2 and a molecular weight of 171.29 g/mol. Its IUPAC name is (5Z,7Z)-4,9-dihydro-3H-1,3-thiazonine-2-thione.

Molecular Properties

Compound Name(5Z,7Z)-4,9-dihydro-3H-1,3-thiazonine-2-thione
PubChem CID88918973
Molecular FormulaC7H9NS2
Molecular Weight171.29 g/mol
Exact Mass171.02
IUPAC Name(5Z,7Z)-4,9-dihydro-3H-1,3-thiazonine-2-thione
SMILESS=C1NC/C=C\C=C/CS1
InChIInChI=1S/C7H9NS2/c9-7-8-5-3-1-2-4-6-10-7/h1-4H,5-6H2,(H,8,9)/b3-1-,4-2-
InChIKeyYQGLUSUSWBIJSR-CCAGOZQPSA-N
XLogP1.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z,7Z)-4,9-dihydro-3H-1,3-thiazonine-2-thione?
The IUPAC name of (5Z,7Z)-4,9-dihydro-3H-1,3-thiazonine-2-thione (CID 88918973) is (5Z,7Z)-4,9-dihydro-3H-1,3-thiazonine-2-thione.
What is the SMILES notation for (5Z,7Z)-4,9-dihydro-3H-1,3-thiazonine-2-thione?
The canonical SMILES for (5Z,7Z)-4,9-dihydro-3H-1,3-thiazonine-2-thione is S=C1NC/C=C\C=C/CS1.
What is the InChIKey of (5Z,7Z)-4,9-dihydro-3H-1,3-thiazonine-2-thione?
The InChIKey is YQGLUSUSWBIJSR-CCAGOZQPSA-N. The full InChI is InChI=1S/C7H9NS2/c9-7-8-5-3-1-2-4-6-10-7/h1-4H,5-6H2,(H,8,9)/b3-1-,4-2-.
What are the key properties of (5Z,7Z)-4,9-dihydro-3H-1,3-thiazonine-2-thione?
(5Z,7Z)-4,9-dihydro-3H-1,3-thiazonine-2-thione has a molecular weight of 171.29 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z)-4,9-dihydro-3H-1,3-thiazonine-2-thione is sourced from PubChem (CID 88918973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).