(5Z)-3-methoxy-5-propylidene-2H-thiopyran

C9H14OS — CID 129272906

IUPAC(5Z)-3-methoxy-5-propylidene-2H-thiopyran
SMILESCC/C=C1/C=C(OC)CSC1
InChIInChI=1S/C9H14OS/c1-3-4-8-5-9(10-2)7-11-6-8/h4-5H,3,6-7H2,1-2H3/b8-4-
InChIKeyWZEKASSECXKNGZ-YWEYNIOJSA-N
MW170.28 g/mol
LogP2.60
Rot. Bonds2

About (5Z)-3-methoxy-5-propylidene-2H-thiopyran

(5Z)-3-methoxy-5-propylidene-2H-thiopyran (PubChem CID 129272906) has the molecular formula C9H14OS and a molecular weight of 170.28 g/mol. Its IUPAC name is (5Z)-3-methoxy-5-propylidene-2H-thiopyran.

Molecular Properties

Compound Name(5Z)-3-methoxy-5-propylidene-2H-thiopyran
PubChem CID129272906
Molecular FormulaC9H14OS
Molecular Weight170.28 g/mol
Exact Mass170.08
IUPAC Name(5Z)-3-methoxy-5-propylidene-2H-thiopyran
SMILESCC/C=C1/C=C(OC)CSC1
InChIInChI=1S/C9H14OS/c1-3-4-8-5-9(10-2)7-11-6-8/h4-5H,3,6-7H2,1-2H3/b8-4-
InChIKeyWZEKASSECXKNGZ-YWEYNIOJSA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5Z)-3-methoxy-5-propylidene-2H-thiopyran?
The IUPAC name of (5Z)-3-methoxy-5-propylidene-2H-thiopyran (CID 129272906) is (5Z)-3-methoxy-5-propylidene-2H-thiopyran.
What is the SMILES notation for (5Z)-3-methoxy-5-propylidene-2H-thiopyran?
The canonical SMILES for (5Z)-3-methoxy-5-propylidene-2H-thiopyran is CC/C=C1/C=C(OC)CSC1.
What is the InChIKey of (5Z)-3-methoxy-5-propylidene-2H-thiopyran?
The InChIKey is WZEKASSECXKNGZ-YWEYNIOJSA-N. The full InChI is InChI=1S/C9H14OS/c1-3-4-8-5-9(10-2)7-11-6-8/h4-5H,3,6-7H2,1-2H3/b8-4-.
What are the key properties of (5Z)-3-methoxy-5-propylidene-2H-thiopyran?
(5Z)-3-methoxy-5-propylidene-2H-thiopyran has a molecular weight of 170.28 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-methoxy-5-propylidene-2H-thiopyran is sourced from PubChem (CID 129272906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).