6-chloro-1,5-dithionane

C7H13ClS2 — CID 101235939

IUPAC6-chloro-1,5-dithionane
SMILESClC1CCCSCCCS1
InChIInChI=1S/C7H13ClS2/c8-7-3-1-4-9-5-2-6-10-7/h7H,1-6H2
InChIKeyZHQTZCXXVHMZPF-UHFFFAOYSA-N
MW196.77 g/mol
LogP3.20
Rot. Bonds

About 6-chloro-1,5-dithionane

6-chloro-1,5-dithionane (PubChem CID 101235939) has the molecular formula C7H13ClS2 and a molecular weight of 196.77 g/mol. Its IUPAC name is 6-chloro-1,5-dithionane.

Molecular Properties

Compound Name6-chloro-1,5-dithionane
PubChem CID101235939
Molecular FormulaC7H13ClS2
Molecular Weight196.77 g/mol
Exact Mass196.01
IUPAC Name6-chloro-1,5-dithionane
SMILESClC1CCCSCCCS1
InChIInChI=1S/C7H13ClS2/c8-7-3-1-4-9-5-2-6-10-7/h7H,1-6H2
InChIKeyZHQTZCXXVHMZPF-UHFFFAOYSA-N
XLogP3.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.77
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,5-dithiocane
CID 5259509
(2S)-2-[(Z)-2-[(2R)-thiolan-2-yl]ethenyl]thiolane
CID 124665905
(2R)-thiolane-2-thiol
CID 88653030
thiocan-5-ol
CID 546890
2-chloro-1,4-dithiane
CID 20737211
CID 57084553
CID 57084553
2-prop-1-enylthiolane
CID 58476119
(2R)-2-[(E)-prop-1-enyl]thiolane
CID 129387762
thiepan-4-ol
CID 13407577
1,4,8-trithiacyclotetradecane
CID 21459618
1,2,6,10,11,15-hexathiacyclooctadecane
CID 12691715
thiacyclotridecane
CID 12543972

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1,5-dithionane?
The IUPAC name of 6-chloro-1,5-dithionane (CID 101235939) is 6-chloro-1,5-dithionane.
What is the SMILES notation for 6-chloro-1,5-dithionane?
The canonical SMILES for 6-chloro-1,5-dithionane is ClC1CCCSCCCS1.
What is the InChIKey of 6-chloro-1,5-dithionane?
The InChIKey is ZHQTZCXXVHMZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClS2/c8-7-3-1-4-9-5-2-6-10-7/h7H,1-6H2.
What are the key properties of 6-chloro-1,5-dithionane?
6-chloro-1,5-dithionane has a molecular weight of 196.77 g/mol, XLogP of 3.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,5-dithionane is sourced from PubChem (CID 101235939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).