(4R)-4-chloro-5,6-dihydro-4H-thieno[2,3-b]thiopyran 7,7-dioxide

C7H7ClO2S2 — CID 1484685

IUPAC(4R)-4-chloro-5,6-dihydro-4H-thieno[2,3-b]thiopyran 7,7-dioxide
SMILESO=S1(=O)CC[C@@H](Cl)c2ccsc21
InChIInChI=1S/C7H7ClO2S2/c8-6-2-4-12(9,10)7-5(6)1-3-11-7/h1,3,6H,2,4H2/t6-/m1/s1
InChIKeyDVUJFNYCWZSBJI-ZCFIWIBFSA-N
MW222.72 g/mol
LogP2.21
Rot. Bonds

About (4R)-4-chloro-5,6-dihydro-4H-thieno[2,3-b]thiopyran 7,7-dioxide

(4R)-4-chloro-5,6-dihydro-4H-thieno[2,3-b]thiopyran 7,7-dioxide (PubChem CID 1484685) has the molecular formula C7H7ClO2S2 and a molecular weight of 222.72 g/mol. Its IUPAC name is (4R)-4-chloro-5,6-dihydro-4H-thieno[2,3-b]thiopyran 7,7-dioxide.

Molecular Properties

Compound Name(4R)-4-chloro-5,6-dihydro-4H-thieno[2,3-b]thiopyran 7,7-dioxide
PubChem CID1484685
Molecular FormulaC7H7ClO2S2
Molecular Weight222.72 g/mol
Exact Mass221.96
IUPAC Name(4R)-4-chloro-5,6-dihydro-4H-thieno[2,3-b]thiopyran 7,7-dioxide
SMILESO=S1(=O)CC[C@@H](Cl)c2ccsc21
InChIInChI=1S/C7H7ClO2S2/c8-6-2-4-12(9,10)7-5(6)1-3-11-7/h1,3,6H,2,4H2/t6-/m1/s1
InChIKeyDVUJFNYCWZSBJI-ZCFIWIBFSA-N
XLogP2.21
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-chloro-5,6-dihydro-4H-thieno[2,3-b]thiopyran 7,7-dioxide?
The IUPAC name of (4R)-4-chloro-5,6-dihydro-4H-thieno[2,3-b]thiopyran 7,7-dioxide (CID 1484685) is (4R)-4-chloro-5,6-dihydro-4H-thieno[2,3-b]thiopyran 7,7-dioxide.
What is the SMILES notation for (4R)-4-chloro-5,6-dihydro-4H-thieno[2,3-b]thiopyran 7,7-dioxide?
The canonical SMILES for (4R)-4-chloro-5,6-dihydro-4H-thieno[2,3-b]thiopyran 7,7-dioxide is O=S1(=O)CC[C@@H](Cl)c2ccsc21.
What is the InChIKey of (4R)-4-chloro-5,6-dihydro-4H-thieno[2,3-b]thiopyran 7,7-dioxide?
The InChIKey is DVUJFNYCWZSBJI-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H7ClO2S2/c8-6-2-4-12(9,10)7-5(6)1-3-11-7/h1,3,6H,2,4H2/t6-/m1/s1.
What are the key properties of (4R)-4-chloro-5,6-dihydro-4H-thieno[2,3-b]thiopyran 7,7-dioxide?
(4R)-4-chloro-5,6-dihydro-4H-thieno[2,3-b]thiopyran 7,7-dioxide has a molecular weight of 222.72 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-chloro-5,6-dihydro-4H-thieno[2,3-b]thiopyran 7,7-dioxide is sourced from PubChem (CID 1484685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).