4-(2H-thiopyran-2-yl)-2H-pyran

C10H10OS — CID 66629073

IUPAC4-(2H-thiopyran-2-yl)-2H-pyran
SMILESC1=CSC(C2=CCOC=C2)C=C1
InChIInChI=1S/C10H10OS/c1-2-8-12-10(3-1)9-4-6-11-7-5-9/h1-6,8,10H,7H2
InChIKeyBJWRBPLDZYLULE-UHFFFAOYSA-N
MW178.26 g/mol
LogP2.64
Rot. Bonds1

About 4-(2H-thiopyran-2-yl)-2H-pyran

4-(2H-thiopyran-2-yl)-2H-pyran (PubChem CID 66629073) has the molecular formula C10H10OS and a molecular weight of 178.26 g/mol. Its IUPAC name is 4-(2H-thiopyran-2-yl)-2H-pyran.

Molecular Properties

Compound Name4-(2H-thiopyran-2-yl)-2H-pyran
PubChem CID66629073
Molecular FormulaC10H10OS
Molecular Weight178.26 g/mol
Exact Mass178.05
IUPAC Name4-(2H-thiopyran-2-yl)-2H-pyran
SMILESC1=CSC(C2=CCOC=C2)C=C1
InChIInChI=1S/C10H10OS/c1-2-8-12-10(3-1)9-4-6-11-7-5-9/h1-6,8,10H,7H2
InChIKeyBJWRBPLDZYLULE-UHFFFAOYSA-N
XLogP2.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2H-thiopyran-2-yl)-2H-pyran?
The IUPAC name of 4-(2H-thiopyran-2-yl)-2H-pyran (CID 66629073) is 4-(2H-thiopyran-2-yl)-2H-pyran.
What is the SMILES notation for 4-(2H-thiopyran-2-yl)-2H-pyran?
The canonical SMILES for 4-(2H-thiopyran-2-yl)-2H-pyran is C1=CSC(C2=CCOC=C2)C=C1.
What is the InChIKey of 4-(2H-thiopyran-2-yl)-2H-pyran?
The InChIKey is BJWRBPLDZYLULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10OS/c1-2-8-12-10(3-1)9-4-6-11-7-5-9/h1-6,8,10H,7H2.
What are the key properties of 4-(2H-thiopyran-2-yl)-2H-pyran?
4-(2H-thiopyran-2-yl)-2H-pyran has a molecular weight of 178.26 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2H-thiopyran-2-yl)-2H-pyran is sourced from PubChem (CID 66629073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).