(4Z)-4-(methoxymethylidene)-2-methylthiane

C8H14OS — CID 90036675

IUPAC(4Z)-4-(methoxymethylidene)-2-methylthiane
SMILESCO/C=C1/CCSC(C)C1
InChIInChI=1S/C8H14OS/c1-7-5-8(6-9-2)3-4-10-7/h6-7H,3-5H2,1-2H3/b8-6-
InChIKeyBNHVBADGAIZOAS-VURMDHGXSA-N
MW158.27 g/mol
LogP2.43
Rot. Bonds1

About (4Z)-4-(methoxymethylidene)-2-methylthiane

(4Z)-4-(methoxymethylidene)-2-methylthiane (PubChem CID 90036675) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is (4Z)-4-(methoxymethylidene)-2-methylthiane.

Molecular Properties

Compound Name(4Z)-4-(methoxymethylidene)-2-methylthiane
PubChem CID90036675
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name(4Z)-4-(methoxymethylidene)-2-methylthiane
SMILESCO/C=C1/CCSC(C)C1
InChIInChI=1S/C8H14OS/c1-7-5-8(6-9-2)3-4-10-7/h6-7H,3-5H2,1-2H3/b8-6-
InChIKeyBNHVBADGAIZOAS-VURMDHGXSA-N
XLogP2.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(methoxymethylidene)-2-methylthiane?
The IUPAC name of (4Z)-4-(methoxymethylidene)-2-methylthiane (CID 90036675) is (4Z)-4-(methoxymethylidene)-2-methylthiane.
What is the SMILES notation for (4Z)-4-(methoxymethylidene)-2-methylthiane?
The canonical SMILES for (4Z)-4-(methoxymethylidene)-2-methylthiane is CO/C=C1/CCSC(C)C1.
What is the InChIKey of (4Z)-4-(methoxymethylidene)-2-methylthiane?
The InChIKey is BNHVBADGAIZOAS-VURMDHGXSA-N. The full InChI is InChI=1S/C8H14OS/c1-7-5-8(6-9-2)3-4-10-7/h6-7H,3-5H2,1-2H3/b8-6-.
What are the key properties of (4Z)-4-(methoxymethylidene)-2-methylthiane?
(4Z)-4-(methoxymethylidene)-2-methylthiane has a molecular weight of 158.27 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(methoxymethylidene)-2-methylthiane is sourced from PubChem (CID 90036675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).