(4Z)-4-ethylidene-3-methoxy-2-methylthiane

C9H16OS — CID 88988817

IUPAC(4Z)-4-ethylidene-3-methoxy-2-methylthiane
SMILESC/C=C1/CCSC(C)C1OC
InChIInChI=1S/C9H16OS/c1-4-8-5-6-11-7(2)9(8)10-3/h4,7,9H,5-6H2,1-3H3/b8-4-
InChIKeyXZSGNBJPUVOIEY-YWEYNIOJSA-N
MW172.29 g/mol
LogP2.47
Rot. Bonds1

About (4Z)-4-ethylidene-3-methoxy-2-methylthiane

(4Z)-4-ethylidene-3-methoxy-2-methylthiane (PubChem CID 88988817) has the molecular formula C9H16OS and a molecular weight of 172.29 g/mol. Its IUPAC name is (4Z)-4-ethylidene-3-methoxy-2-methylthiane.

Molecular Properties

Compound Name(4Z)-4-ethylidene-3-methoxy-2-methylthiane
PubChem CID88988817
Molecular FormulaC9H16OS
Molecular Weight172.29 g/mol
Exact Mass172.09
IUPAC Name(4Z)-4-ethylidene-3-methoxy-2-methylthiane
SMILESC/C=C1/CCSC(C)C1OC
InChIInChI=1S/C9H16OS/c1-4-8-5-6-11-7(2)9(8)10-3/h4,7,9H,5-6H2,1-3H3/b8-4-
InChIKeyXZSGNBJPUVOIEY-YWEYNIOJSA-N
XLogP2.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-ethylidene-3-methoxy-2-methylthiane?
The IUPAC name of (4Z)-4-ethylidene-3-methoxy-2-methylthiane (CID 88988817) is (4Z)-4-ethylidene-3-methoxy-2-methylthiane.
What is the SMILES notation for (4Z)-4-ethylidene-3-methoxy-2-methylthiane?
The canonical SMILES for (4Z)-4-ethylidene-3-methoxy-2-methylthiane is C/C=C1/CCSC(C)C1OC.
What is the InChIKey of (4Z)-4-ethylidene-3-methoxy-2-methylthiane?
The InChIKey is XZSGNBJPUVOIEY-YWEYNIOJSA-N. The full InChI is InChI=1S/C9H16OS/c1-4-8-5-6-11-7(2)9(8)10-3/h4,7,9H,5-6H2,1-3H3/b8-4-.
What are the key properties of (4Z)-4-ethylidene-3-methoxy-2-methylthiane?
(4Z)-4-ethylidene-3-methoxy-2-methylthiane has a molecular weight of 172.29 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-ethylidene-3-methoxy-2-methylthiane is sourced from PubChem (CID 88988817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).