2-(2-methylsulfanylpropyl)-1,3-dithiane

C8H16S3 — CID 91806567

IUPAC2-(2-methylsulfanylpropyl)-1,3-dithiane
SMILESCSC(C)CC1SCCCS1
InChIInChI=1S/C8H16S3/c1-7(9-2)6-8-10-4-3-5-11-8/h7-8H,3-6H2,1-2H3
InChIKeyDXEOZZRKRZVPBE-UHFFFAOYSA-N
MW208.42 g/mol
LogP3.32
Rot. Bonds3

About 2-(2-methylsulfanylpropyl)-1,3-dithiane

2-(2-methylsulfanylpropyl)-1,3-dithiane (PubChem CID 91806567) has the molecular formula C8H16S3 and a molecular weight of 208.42 g/mol. Its IUPAC name is 2-(2-methylsulfanylpropyl)-1,3-dithiane.

Molecular Properties

Compound Name2-(2-methylsulfanylpropyl)-1,3-dithiane
PubChem CID91806567
Molecular FormulaC8H16S3
Molecular Weight208.42 g/mol
Exact Mass208.04
IUPAC Name2-(2-methylsulfanylpropyl)-1,3-dithiane
SMILESCSC(C)CC1SCCCS1
InChIInChI=1S/C8H16S3/c1-7(9-2)6-8-10-4-3-5-11-8/h7-8H,3-6H2,1-2H3
InChIKeyDXEOZZRKRZVPBE-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.42
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylbutyl)-1,3-dithiane
CID 19349487
1,3-dithian-2-yl-dimethyl-methylsulfanylphosphanium
CID 10248946
2-[(2S)-2-methyloctyl]-1,3-dithiane
CID 11447987
[2-(1,3-dithian-2-yl)-1-methoxyethoxy]-tri(propan-2-yl)silane
CID 11002625
2-[3-(1,3-dithian-2-yl)propyl]-1,3-dithiane
CID 11196758
2-[(2R)-2-methyl-3-phenylmethoxypropyl]-1,3-dithiane
CID 10517049
2-[(E)-3-methylhex-2-enyl]-1,3-dithiane
CID 134991075
2-[8-(1,3-dithian-2-yl)octyl]-1,3-dithiane
CID 3335424
2-(chloromethyl)-1,3-dithiane;methane
CID 158007481
4-(1,3-dithian-2-yl)-2-fluorobut-2-en-1-ol
CID 54362871
1,3-dithian-2-ylmethyl (2S)-2-amino-3-methylbutanoate
CID 14132523
2-cyclopentyl-3-(1,3-dithian-2-yl)-1,1-difluoropropane-1-thiol
CID 144703775

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfanylpropyl)-1,3-dithiane?
The IUPAC name of 2-(2-methylsulfanylpropyl)-1,3-dithiane (CID 91806567) is 2-(2-methylsulfanylpropyl)-1,3-dithiane.
What is the SMILES notation for 2-(2-methylsulfanylpropyl)-1,3-dithiane?
The canonical SMILES for 2-(2-methylsulfanylpropyl)-1,3-dithiane is CSC(C)CC1SCCCS1.
What is the InChIKey of 2-(2-methylsulfanylpropyl)-1,3-dithiane?
The InChIKey is DXEOZZRKRZVPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16S3/c1-7(9-2)6-8-10-4-3-5-11-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-(2-methylsulfanylpropyl)-1,3-dithiane?
2-(2-methylsulfanylpropyl)-1,3-dithiane has a molecular weight of 208.42 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfanylpropyl)-1,3-dithiane is sourced from PubChem (CID 91806567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).