thiane;thietane;thiirane;thiolane

C23H46S6 — CID 161072943

IUPACthiane;thietane;thiirane;thiolane
SMILESC1CCSC1.C1CCSC1.C1CCSCC1.C1CCSCC1.C1CS1.C1CSC1
InChIInChI=1S/2C5H10S.2C4H8S.C3H6S.C2H4S/c2*1-2-4-6-5-3-1;2*1-2-4-5-3-1;1-2-4-3-1;1-2-3-1/h2*1-5H2;2*1-4H2;1-3H2;1-2H2
InChIKeyUEWXIQHZDJIBQX-UHFFFAOYSA-N
MW515.02 g/mol
LogP8.69
Rot. Bonds

About thiane;thietane;thiirane;thiolane

thiane;thietane;thiirane;thiolane (PubChem CID 161072943) has the molecular formula C23H46S6 and a molecular weight of 515.02 g/mol. Its IUPAC name is thiane;thietane;thiirane;thiolane.

Molecular Properties

Compound Namethiane;thietane;thiirane;thiolane
PubChem CID161072943
Molecular FormulaC23H46S6
Molecular Weight515.02 g/mol
Exact Mass514.19
IUPAC Namethiane;thietane;thiirane;thiolane
SMILESC1CCSC1.C1CCSC1.C1CCSCC1.C1CCSCC1.C1CS1.C1CSC1
InChIInChI=1S/2C5H10S.2C4H8S.C3H6S.C2H4S/c2*1-2-4-6-5-3-1;2*1-2-4-5-3-1;1-2-4-3-1;1-2-3-1/h2*1-5H2;2*1-4H2;1-3H2;1-2H2
InChIKeyUEWXIQHZDJIBQX-UHFFFAOYSA-N
XLogP8.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.02
LogP ≤ 58.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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CID 21459618
thiane
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thiacyclotridecane
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thiacyclononacosane
CID 68502335
azane;thiane
CID 175911384
CID 175695265
CID 175695265
lithium;hydride;thiane
CID 173428733
gold;thiolane
CID 87289980
fluoromethane;thiane
CID 174938709
1,5-dithiocane
CID 5259509
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CID 164525023
formamide;thiane
CID 174918643

Frequently Asked Questions

What is the IUPAC name of thiane;thietane;thiirane;thiolane?
The IUPAC name of thiane;thietane;thiirane;thiolane (CID 161072943) is thiane;thietane;thiirane;thiolane.
What is the SMILES notation for thiane;thietane;thiirane;thiolane?
The canonical SMILES for thiane;thietane;thiirane;thiolane is C1CCSC1.C1CCSC1.C1CCSCC1.C1CCSCC1.C1CS1.C1CSC1.
What is the InChIKey of thiane;thietane;thiirane;thiolane?
The InChIKey is UEWXIQHZDJIBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H10S.2C4H8S.C3H6S.C2H4S/c2*1-2-4-6-5-3-1;2*1-2-4-5-3-1;1-2-4-3-1;1-2-3-1/h2*1-5H2;2*1-4H2;1-3H2;1-2H2.
What are the key properties of thiane;thietane;thiirane;thiolane?
thiane;thietane;thiirane;thiolane has a molecular weight of 515.02 g/mol, XLogP of 8.69, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for thiane;thietane;thiirane;thiolane is sourced from PubChem (CID 161072943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).