2,2-bis(thietan-3-ylsulfanylmethyl)-1,3-dithiolane

C11H18S6 — CID 87568216

IUPAC2,2-bis(thietan-3-ylsulfanylmethyl)-1,3-dithiolane
SMILESC1CSC(CSC2CSC2)(CSC2CSC2)S1
InChIInChI=1S/C11H18S6/c1-2-17-11(16-1,7-14-9-3-12-4-9)8-15-10-5-13-6-10/h9-10H,1-8H2
InChIKeyMTGGDOPFAMHBKF-UHFFFAOYSA-N
MW342.67 g/mol
LogP3.86
Rot. Bonds6

About 2,2-bis(thietan-3-ylsulfanylmethyl)-1,3-dithiolane

2,2-bis(thietan-3-ylsulfanylmethyl)-1,3-dithiolane (PubChem CID 87568216) has the molecular formula C11H18S6 and a molecular weight of 342.67 g/mol. Its IUPAC name is 2,2-bis(thietan-3-ylsulfanylmethyl)-1,3-dithiolane.

Molecular Properties

Compound Name2,2-bis(thietan-3-ylsulfanylmethyl)-1,3-dithiolane
PubChem CID87568216
Molecular FormulaC11H18S6
Molecular Weight342.67 g/mol
Exact Mass341.97
IUPAC Name2,2-bis(thietan-3-ylsulfanylmethyl)-1,3-dithiolane
SMILESC1CSC(CSC2CSC2)(CSC2CSC2)S1
InChIInChI=1S/C11H18S6/c1-2-17-11(16-1,7-14-9-3-12-4-9)8-15-10-5-13-6-10/h9-10H,1-8H2
InChIKeyMTGGDOPFAMHBKF-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.67
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(thietan-3-ylsulfanylmethyl)-1,4-dithiane
CID 146197998
2-[2-[2-(thietan-3-ylsulfanyl)ethylsulfanyl]ethylsulfanylmethyl]oxirane
CID 87433192
2-(thietan-3-ylsulfanyl)-1,3,2-dithiazolidine
CID 143739617
3,3-bis(thietan-3-ylsulfanyl)propanal
CID 141069543
1-(thietan-3-ylsulfanyl)heptane-4-thiol
CID 141069532
sulfanyl-tris(thietan-3-ylsulfanyl)phosphanium
CID 87267405
3-[bis(thietan-3-yldisulfanyl)methyldisulfanyl]thietane
CID 122441305
CID 58271566
CID 58271566
2,5-dimethyl-2-(thietan-3-ylsulfanyl)-1,4-dithiane
CID 175428279
N-[(1-methylsulfanylcyclobutyl)methyl]thietan-3-amine
CID 170900002
sodium;methanol;methanolate;S-[2-(thietan-3-ylsulfanyl)ethyl] ethanethioate;trichlorostibane;bis(tris[2-(thietan-3-ylsulfanyl)ethylsulfanyl]stibane)
CID 158310187
2,3,5-trimethyl-2,5-bis(thietan-3-ylsulfanyl)-1,4-dithiane
CID 175508397

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(thietan-3-ylsulfanylmethyl)-1,3-dithiolane?
The IUPAC name of 2,2-bis(thietan-3-ylsulfanylmethyl)-1,3-dithiolane (CID 87568216) is 2,2-bis(thietan-3-ylsulfanylmethyl)-1,3-dithiolane.
What is the SMILES notation for 2,2-bis(thietan-3-ylsulfanylmethyl)-1,3-dithiolane?
The canonical SMILES for 2,2-bis(thietan-3-ylsulfanylmethyl)-1,3-dithiolane is C1CSC(CSC2CSC2)(CSC2CSC2)S1.
What is the InChIKey of 2,2-bis(thietan-3-ylsulfanylmethyl)-1,3-dithiolane?
The InChIKey is MTGGDOPFAMHBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18S6/c1-2-17-11(16-1,7-14-9-3-12-4-9)8-15-10-5-13-6-10/h9-10H,1-8H2.
What are the key properties of 2,2-bis(thietan-3-ylsulfanylmethyl)-1,3-dithiolane?
2,2-bis(thietan-3-ylsulfanylmethyl)-1,3-dithiolane has a molecular weight of 342.67 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(thietan-3-ylsulfanylmethyl)-1,3-dithiolane is sourced from PubChem (CID 87568216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).