(9Z)-8H-1,3,5,7-tetrathiecine

C6H10S4 — CID 173025674

IUPAC(9Z)-8H-1,3,5,7-tetrathiecine
SMILESC1=C\SCSCSCSC/1
InChIInChI=1S/C6H10S4/c1-2-7-4-9-6-10-5-8-3-1/h1-2H,3-6H2/b2-1-
InChIKeyQRJQNOORIYKXSQ-UPHRSURJSA-N
MW210.41 g/mol
LogP3.32
Rot. Bonds

About (9Z)-8H-1,3,5,7-tetrathiecine

(9Z)-8H-1,3,5,7-tetrathiecine (PubChem CID 173025674) has the molecular formula C6H10S4 and a molecular weight of 210.41 g/mol. Its IUPAC name is (9Z)-8H-1,3,5,7-tetrathiecine.

Molecular Properties

Compound Name(9Z)-8H-1,3,5,7-tetrathiecine
PubChem CID173025674
Molecular FormulaC6H10S4
Molecular Weight210.41 g/mol
Exact Mass209.97
IUPAC Name(9Z)-8H-1,3,5,7-tetrathiecine
SMILESC1=C\SCSCSCSC/1
InChIInChI=1S/C6H10S4/c1-2-7-4-9-6-10-5-8-3-1/h1-2H,3-6H2/b2-1-
InChIKeyQRJQNOORIYKXSQ-UPHRSURJSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.41
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (9Z)-8H-1,3,5,7-tetrathiecine?
The IUPAC name of (9Z)-8H-1,3,5,7-tetrathiecine (CID 173025674) is (9Z)-8H-1,3,5,7-tetrathiecine.
What is the SMILES notation for (9Z)-8H-1,3,5,7-tetrathiecine?
The canonical SMILES for (9Z)-8H-1,3,5,7-tetrathiecine is C1=C\SCSCSCSC/1.
What is the InChIKey of (9Z)-8H-1,3,5,7-tetrathiecine?
The InChIKey is QRJQNOORIYKXSQ-UPHRSURJSA-N. The full InChI is InChI=1S/C6H10S4/c1-2-7-4-9-6-10-5-8-3-1/h1-2H,3-6H2/b2-1-.
What are the key properties of (9Z)-8H-1,3,5,7-tetrathiecine?
(9Z)-8H-1,3,5,7-tetrathiecine has a molecular weight of 210.41 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z)-8H-1,3,5,7-tetrathiecine is sourced from PubChem (CID 173025674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).