6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl chloride

C8H7ClOS2 — CID 81260755

IUPAC6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl chloride
SMILESO=C(Cl)c1cc2c(s1)CCSC2
InChIInChI=1S/C8H7ClOS2/c9-8(10)7-3-5-4-11-2-1-6(5)12-7/h3H,1-2,4H2
InChIKeyNSKGJYUCNLUHMY-UHFFFAOYSA-N
MW218.73 g/mol
LogP2.92
Rot. Bonds1

About 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl chloride

6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl chloride (PubChem CID 81260755) has the molecular formula C8H7ClOS2 and a molecular weight of 218.73 g/mol. Its IUPAC name is 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl chloride.

Molecular Properties

Compound Name6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl chloride
PubChem CID81260755
Molecular FormulaC8H7ClOS2
Molecular Weight218.73 g/mol
Exact Mass217.96
IUPAC Name6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl chloride
SMILESO=C(Cl)c1cc2c(s1)CCSC2
InChIInChI=1S/C8H7ClOS2/c9-8(10)7-3-5-4-11-2-1-6(5)12-7/h3H,1-2,4H2
InChIKeyNSKGJYUCNLUHMY-UHFFFAOYSA-N
XLogP2.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.73
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-methoxyethanone
CID 115783386
(5-bromo-4-chlorothiophen-2-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone
CID 81261181
2-chloro-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-phenylethanone
CID 81261553
(4-aminophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone
CID 81261881
3-cyclopropyl-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)propan-1-one
CID 114978270
(2,6-difluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone
CID 114972937
N-[1-(chloromethyl)cyclopentyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 114300741
N-(6-chlorohexyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 114008438
(2S)-2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonylamino)propanoic acid
CID 81267842
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(3,4-dimethylphenyl)methanone
CID 81260815
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-phenylpropan-1-one
CID 114962869
N-(1-chloro-3-methylbutan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 114305649

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl chloride?
The IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl chloride (CID 81260755) is 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl chloride.
What is the SMILES notation for 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl chloride?
The canonical SMILES for 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl chloride is O=C(Cl)c1cc2c(s1)CCSC2.
What is the InChIKey of 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl chloride?
The InChIKey is NSKGJYUCNLUHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClOS2/c9-8(10)7-3-5-4-11-2-1-6(5)12-7/h3H,1-2,4H2.
What are the key properties of 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl chloride?
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl chloride has a molecular weight of 218.73 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl chloride is sourced from PubChem (CID 81260755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).