(2S,3S)-3-[(3-chlorothiophen-2-yl)methylsulfanyl]-2-methyloxolane

C10H13ClOS2 — CID 100753713

IUPAC(2S,3S)-3-[(3-chlorothiophen-2-yl)methylsulfanyl]-2-methyloxolane
SMILESC[C@@H]1OCC[C@@H]1SCc1sccc1Cl
InChIInChI=1S/C10H13ClOS2/c1-7-9(2-4-12-7)14-6-10-8(11)3-5-13-10/h3,5,7,9H,2,4,6H2,1H3/t7-,9-/m0/s1
InChIKeyNIERQKIPPHOPKM-CBAPKCEASA-N
MW248.80 g/mol
LogP3.81
Rot. Bonds3

About (2S,3S)-3-[(3-chlorothiophen-2-yl)methylsulfanyl]-2-methyloxolane

(2S,3S)-3-[(3-chlorothiophen-2-yl)methylsulfanyl]-2-methyloxolane (PubChem CID 100753713) has the molecular formula C10H13ClOS2 and a molecular weight of 248.80 g/mol. Its IUPAC name is (2S,3S)-3-[(3-chlorothiophen-2-yl)methylsulfanyl]-2-methyloxolane.

Molecular Properties

Compound Name(2S,3S)-3-[(3-chlorothiophen-2-yl)methylsulfanyl]-2-methyloxolane
PubChem CID100753713
Molecular FormulaC10H13ClOS2
Molecular Weight248.80 g/mol
Exact Mass248.01
IUPAC Name(2S,3S)-3-[(3-chlorothiophen-2-yl)methylsulfanyl]-2-methyloxolane
SMILESC[C@@H]1OCC[C@@H]1SCc1sccc1Cl
InChIInChI=1S/C10H13ClOS2/c1-7-9(2-4-12-7)14-6-10-8(11)3-5-13-10/h3,5,7,9H,2,4,6H2,1H3/t7-,9-/m0/s1
InChIKeyNIERQKIPPHOPKM-CBAPKCEASA-N
XLogP3.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.80
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-[(3-chlorothiophen-2-yl)methylsulfanyl]-2-methyloxolane?
The IUPAC name of (2S,3S)-3-[(3-chlorothiophen-2-yl)methylsulfanyl]-2-methyloxolane (CID 100753713) is (2S,3S)-3-[(3-chlorothiophen-2-yl)methylsulfanyl]-2-methyloxolane.
What is the SMILES notation for (2S,3S)-3-[(3-chlorothiophen-2-yl)methylsulfanyl]-2-methyloxolane?
The canonical SMILES for (2S,3S)-3-[(3-chlorothiophen-2-yl)methylsulfanyl]-2-methyloxolane is C[C@@H]1OCC[C@@H]1SCc1sccc1Cl.
What is the InChIKey of (2S,3S)-3-[(3-chlorothiophen-2-yl)methylsulfanyl]-2-methyloxolane?
The InChIKey is NIERQKIPPHOPKM-CBAPKCEASA-N. The full InChI is InChI=1S/C10H13ClOS2/c1-7-9(2-4-12-7)14-6-10-8(11)3-5-13-10/h3,5,7,9H,2,4,6H2,1H3/t7-,9-/m0/s1.
What are the key properties of (2S,3S)-3-[(3-chlorothiophen-2-yl)methylsulfanyl]-2-methyloxolane?
(2S,3S)-3-[(3-chlorothiophen-2-yl)methylsulfanyl]-2-methyloxolane has a molecular weight of 248.80 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-[(3-chlorothiophen-2-yl)methylsulfanyl]-2-methyloxolane is sourced from PubChem (CID 100753713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).