silane;2-(thiepan-2-ylmethyl)thiepane

C13H28S2Si — CID 173274249

IUPACsilane;2-(thiepan-2-ylmethyl)thiepane
SMILESC1CCSC(CC2CCCCCS2)CC1.[SiH4]
InChIInChI=1S/C13H24S2.H4Si/c1-3-7-12(14-9-5-1)11-13-8-4-2-6-10-15-13;/h12-13H,1-11H2;1H4
InChIKeyGRZRMHDHGHELHN-UHFFFAOYSA-N
MW276.59 g/mol
LogP3.28
Rot. Bonds2

About silane;2-(thiepan-2-ylmethyl)thiepane

silane;2-(thiepan-2-ylmethyl)thiepane (PubChem CID 173274249) has the molecular formula C13H28S2Si and a molecular weight of 276.59 g/mol. Its IUPAC name is silane;2-(thiepan-2-ylmethyl)thiepane.

Molecular Properties

Compound Namesilane;2-(thiepan-2-ylmethyl)thiepane
PubChem CID173274249
Molecular FormulaC13H28S2Si
Molecular Weight276.59 g/mol
Exact Mass276.14
IUPAC Namesilane;2-(thiepan-2-ylmethyl)thiepane
SMILESC1CCSC(CC2CCCCCS2)CC1.[SiH4]
InChIInChI=1S/C13H24S2.H4Si/c1-3-7-12(14-9-5-1)11-13-8-4-2-6-10-15-13;/h12-13H,1-11H2;1H4
InChIKeyGRZRMHDHGHELHN-UHFFFAOYSA-N
XLogP3.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.59
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(cyclohexylmethyl)thiolane
CID 132938767
2-(cyclooctylmethyl)thiolane
CID 163438638
thiepan-2-amine
CID 175886388
1-(thian-2-ylmethyl)cyclohexan-1-ol
CID 115073797
N-methyl-1-(thian-2-yl)methanamine
CID 80593784
2-(thian-2-yl)acetaldehyde
CID 83815216
2-methyl-1-(thian-2-yl)propan-2-amine
CID 84654748
2-(thian-2-ylmethyl)-1,3-dioxolane-4-carboxylic acid
CID 115094585
N-(thian-2-ylmethyl)cyclobutanamine
CID 80599941
(2R)-2-ethylthiolane
CID 643409
2-dodecylthiane
CID 14420052
3-(thian-2-ylmethylamino)propanenitrile
CID 80601296

Frequently Asked Questions

What is the IUPAC name of silane;2-(thiepan-2-ylmethyl)thiepane?
The IUPAC name of silane;2-(thiepan-2-ylmethyl)thiepane (CID 173274249) is silane;2-(thiepan-2-ylmethyl)thiepane.
What is the SMILES notation for silane;2-(thiepan-2-ylmethyl)thiepane?
The canonical SMILES for silane;2-(thiepan-2-ylmethyl)thiepane is C1CCSC(CC2CCCCCS2)CC1.[SiH4].
What is the InChIKey of silane;2-(thiepan-2-ylmethyl)thiepane?
The InChIKey is GRZRMHDHGHELHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24S2.H4Si/c1-3-7-12(14-9-5-1)11-13-8-4-2-6-10-15-13;/h12-13H,1-11H2;1H4.
What are the key properties of silane;2-(thiepan-2-ylmethyl)thiepane?
silane;2-(thiepan-2-ylmethyl)thiepane has a molecular weight of 276.59 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for silane;2-(thiepan-2-ylmethyl)thiepane is sourced from PubChem (CID 173274249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).