5-[(E)-3-chloroprop-2-enyl]-2H-thiopyran

C8H9ClS — CID 173374374

IUPAC5-[(E)-3-chloroprop-2-enyl]-2H-thiopyran
SMILESCl/C=C/CC1=CSCC=C1
InChIInChI=1S/C8H9ClS/c9-5-1-3-8-4-2-6-10-7-8/h1-2,4-5,7H,3,6H2/b5-1+
InChIKeySCSJKDUPIFZDFV-ORCRQEGFSA-N
MW172.68 g/mol
LogP3.32
Rot. Bonds2

About 5-[(E)-3-chloroprop-2-enyl]-2H-thiopyran

5-[(E)-3-chloroprop-2-enyl]-2H-thiopyran (PubChem CID 173374374) has the molecular formula C8H9ClS and a molecular weight of 172.68 g/mol. Its IUPAC name is 5-[(E)-3-chloroprop-2-enyl]-2H-thiopyran.

Molecular Properties

Compound Name5-[(E)-3-chloroprop-2-enyl]-2H-thiopyran
PubChem CID173374374
Molecular FormulaC8H9ClS
Molecular Weight172.68 g/mol
Exact Mass172.01
IUPAC Name5-[(E)-3-chloroprop-2-enyl]-2H-thiopyran
SMILESCl/C=C/CC1=CSCC=C1
InChIInChI=1S/C8H9ClS/c9-5-1-3-8-4-2-6-10-7-8/h1-2,4-5,7H,3,6H2/b5-1+
InChIKeySCSJKDUPIFZDFV-ORCRQEGFSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.68
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-3-chloroprop-2-enyl]-2H-thiopyran?
The IUPAC name of 5-[(E)-3-chloroprop-2-enyl]-2H-thiopyran (CID 173374374) is 5-[(E)-3-chloroprop-2-enyl]-2H-thiopyran.
What is the SMILES notation for 5-[(E)-3-chloroprop-2-enyl]-2H-thiopyran?
The canonical SMILES for 5-[(E)-3-chloroprop-2-enyl]-2H-thiopyran is Cl/C=C/CC1=CSCC=C1.
What is the InChIKey of 5-[(E)-3-chloroprop-2-enyl]-2H-thiopyran?
The InChIKey is SCSJKDUPIFZDFV-ORCRQEGFSA-N. The full InChI is InChI=1S/C8H9ClS/c9-5-1-3-8-4-2-6-10-7-8/h1-2,4-5,7H,3,6H2/b5-1+.
What are the key properties of 5-[(E)-3-chloroprop-2-enyl]-2H-thiopyran?
5-[(E)-3-chloroprop-2-enyl]-2H-thiopyran has a molecular weight of 172.68 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-3-chloroprop-2-enyl]-2H-thiopyran is sourced from PubChem (CID 173374374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).