(2R)-6-chloro-2,5-dimethyl-2H-thiopyran

C7H9ClS — CID 155395548

IUPAC(2R)-6-chloro-2,5-dimethyl-2H-thiopyran
SMILESCC1=C(Cl)S[C@H](C)C=C1
InChIInChI=1S/C7H9ClS/c1-5-3-4-6(2)9-7(5)8/h3-4,6H,1-2H3/t6-/m1/s1
InChIKeyUYDMFCBBHHNWMX-ZCFIWIBFSA-N
MW160.67 g/mol
LogP3.15
Rot. Bonds

About (2R)-6-chloro-2,5-dimethyl-2H-thiopyran

(2R)-6-chloro-2,5-dimethyl-2H-thiopyran (PubChem CID 155395548) has the molecular formula C7H9ClS and a molecular weight of 160.67 g/mol. Its IUPAC name is (2R)-6-chloro-2,5-dimethyl-2H-thiopyran.

Molecular Properties

Compound Name(2R)-6-chloro-2,5-dimethyl-2H-thiopyran
PubChem CID155395548
Molecular FormulaC7H9ClS
Molecular Weight160.67 g/mol
Exact Mass160.01
IUPAC Name(2R)-6-chloro-2,5-dimethyl-2H-thiopyran
SMILESCC1=C(Cl)S[C@H](C)C=C1
InChIInChI=1S/C7H9ClS/c1-5-3-4-6(2)9-7(5)8/h3-4,6H,1-2H3/t6-/m1/s1
InChIKeyUYDMFCBBHHNWMX-ZCFIWIBFSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.67
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-6-chloro-2,5-dimethyl-2H-thiopyran?
The IUPAC name of (2R)-6-chloro-2,5-dimethyl-2H-thiopyran (CID 155395548) is (2R)-6-chloro-2,5-dimethyl-2H-thiopyran.
What is the SMILES notation for (2R)-6-chloro-2,5-dimethyl-2H-thiopyran?
The canonical SMILES for (2R)-6-chloro-2,5-dimethyl-2H-thiopyran is CC1=C(Cl)S[C@H](C)C=C1.
What is the InChIKey of (2R)-6-chloro-2,5-dimethyl-2H-thiopyran?
The InChIKey is UYDMFCBBHHNWMX-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H9ClS/c1-5-3-4-6(2)9-7(5)8/h3-4,6H,1-2H3/t6-/m1/s1.
What are the key properties of (2R)-6-chloro-2,5-dimethyl-2H-thiopyran?
(2R)-6-chloro-2,5-dimethyl-2H-thiopyran has a molecular weight of 160.67 g/mol, XLogP of 3.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-chloro-2,5-dimethyl-2H-thiopyran is sourced from PubChem (CID 155395548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).