5-(chloromethyl)-3,6-dihydro-2H-thiopyran

C6H9ClS — CID 15614564

IUPAC5-(chloromethyl)-3,6-dihydro-2H-thiopyran
SMILESClCC1=CCCSC1
InChIInChI=1S/C6H9ClS/c7-4-6-2-1-3-8-5-6/h2H,1,3-5H2
InChIKeyVZFWUWIVQOCOBO-UHFFFAOYSA-N
MW148.66 g/mol
LogP2.29
Rot. Bonds1

About 5-(chloromethyl)-3,6-dihydro-2H-thiopyran

5-(chloromethyl)-3,6-dihydro-2H-thiopyran (PubChem CID 15614564) has the molecular formula C6H9ClS and a molecular weight of 148.66 g/mol. Its IUPAC name is 5-(chloromethyl)-3,6-dihydro-2H-thiopyran.

Molecular Properties

Compound Name5-(chloromethyl)-3,6-dihydro-2H-thiopyran
PubChem CID15614564
Molecular FormulaC6H9ClS
Molecular Weight148.66 g/mol
Exact Mass148.01
IUPAC Name5-(chloromethyl)-3,6-dihydro-2H-thiopyran
SMILESClCC1=CCCSC1
InChIInChI=1S/C6H9ClS/c7-4-6-2-1-3-8-5-6/h2H,1,3-5H2
InChIKeyVZFWUWIVQOCOBO-UHFFFAOYSA-N
XLogP2.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.66
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-3,6-dihydro-2H-thiopyran?
The IUPAC name of 5-(chloromethyl)-3,6-dihydro-2H-thiopyran (CID 15614564) is 5-(chloromethyl)-3,6-dihydro-2H-thiopyran.
What is the SMILES notation for 5-(chloromethyl)-3,6-dihydro-2H-thiopyran?
The canonical SMILES for 5-(chloromethyl)-3,6-dihydro-2H-thiopyran is ClCC1=CCCSC1.
What is the InChIKey of 5-(chloromethyl)-3,6-dihydro-2H-thiopyran?
The InChIKey is VZFWUWIVQOCOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClS/c7-4-6-2-1-3-8-5-6/h2H,1,3-5H2.
What are the key properties of 5-(chloromethyl)-3,6-dihydro-2H-thiopyran?
5-(chloromethyl)-3,6-dihydro-2H-thiopyran has a molecular weight of 148.66 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-3,6-dihydro-2H-thiopyran is sourced from PubChem (CID 15614564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).