(2Z)-2-(methoxymethyl)-5,6,7,8-tetrahydro-1,4-dithiocine

C8H14OS2 — CID 134998773

IUPAC(2Z)-2-(methoxymethyl)-5,6,7,8-tetrahydro-1,4-dithiocine
SMILESCOC/C1=C/SCCCCS1
InChIInChI=1S/C8H14OS2/c1-9-6-8-7-10-4-2-3-5-11-8/h7H,2-6H2,1H3/b8-7-
InChIKeyDEBIAKLASLBRTQ-FPLPWBNLSA-N
MW190.33 g/mol
LogP2.73
Rot. Bonds2

About (2Z)-2-(methoxymethyl)-5,6,7,8-tetrahydro-1,4-dithiocine

(2Z)-2-(methoxymethyl)-5,6,7,8-tetrahydro-1,4-dithiocine (PubChem CID 134998773) has the molecular formula C8H14OS2 and a molecular weight of 190.33 g/mol. Its IUPAC name is (2Z)-2-(methoxymethyl)-5,6,7,8-tetrahydro-1,4-dithiocine.

Molecular Properties

Compound Name(2Z)-2-(methoxymethyl)-5,6,7,8-tetrahydro-1,4-dithiocine
PubChem CID134998773
Molecular FormulaC8H14OS2
Molecular Weight190.33 g/mol
Exact Mass190.05
IUPAC Name(2Z)-2-(methoxymethyl)-5,6,7,8-tetrahydro-1,4-dithiocine
SMILESCOC/C1=C/SCCCCS1
InChIInChI=1S/C8H14OS2/c1-9-6-8-7-10-4-2-3-5-11-8/h7H,2-6H2,1H3/b8-7-
InChIKeyDEBIAKLASLBRTQ-FPLPWBNLSA-N
XLogP2.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(methoxymethyl)-5,6,7,8-tetrahydro-1,4-dithiocine?
The IUPAC name of (2Z)-2-(methoxymethyl)-5,6,7,8-tetrahydro-1,4-dithiocine (CID 134998773) is (2Z)-2-(methoxymethyl)-5,6,7,8-tetrahydro-1,4-dithiocine.
What is the SMILES notation for (2Z)-2-(methoxymethyl)-5,6,7,8-tetrahydro-1,4-dithiocine?
The canonical SMILES for (2Z)-2-(methoxymethyl)-5,6,7,8-tetrahydro-1,4-dithiocine is COC/C1=C/SCCCCS1.
What is the InChIKey of (2Z)-2-(methoxymethyl)-5,6,7,8-tetrahydro-1,4-dithiocine?
The InChIKey is DEBIAKLASLBRTQ-FPLPWBNLSA-N. The full InChI is InChI=1S/C8H14OS2/c1-9-6-8-7-10-4-2-3-5-11-8/h7H,2-6H2,1H3/b8-7-.
What are the key properties of (2Z)-2-(methoxymethyl)-5,6,7,8-tetrahydro-1,4-dithiocine?
(2Z)-2-(methoxymethyl)-5,6,7,8-tetrahydro-1,4-dithiocine has a molecular weight of 190.33 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(methoxymethyl)-5,6,7,8-tetrahydro-1,4-dithiocine is sourced from PubChem (CID 134998773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).