1,3-dithiole;pentane

C8H16S2 — CID 89438282

IUPAC1,3-dithiole;pentane
SMILESC1=CSCS1.CCCCC
InChIInChI=1S/C5H12.C3H4S2/c1-3-5-4-2;1-2-5-3-4-1/h3-5H2,1-2H3;1-2H,3H2
InChIKeyTZSDSPPEGRRPSY-UHFFFAOYSA-N
MW176.35 g/mol
LogP4.09
Rot. Bonds2

About 1,3-dithiole;pentane

1,3-dithiole;pentane (PubChem CID 89438282) has the molecular formula C8H16S2 and a molecular weight of 176.35 g/mol. Its IUPAC name is 1,3-dithiole;pentane.

Molecular Properties

Compound Name1,3-dithiole;pentane
PubChem CID89438282
Molecular FormulaC8H16S2
Molecular Weight176.35 g/mol
Exact Mass176.07
IUPAC Name1,3-dithiole;pentane
SMILESC1=CSCS1.CCCCC
InChIInChI=1S/C5H12.C3H4S2/c1-3-5-4-2;1-2-5-3-4-1/h3-5H2,1-2H3;1-2H,3H2
InChIKeyTZSDSPPEGRRPSY-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.35
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dithiole;ethanethiol
CID 175089373
pentane;rhodium
CID 173105348
hexadecakis(pentane);dihydrate
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alumane;pentane
CID 173125985
CID 159411255
CID 159411255
pentane;propane
CID 91422342
zinc pentane
CID 19065630
pentane;stannane
CID 173279416
CID 157215984
CID 157215984
cyclopentane;ethane;pentane
CID 143543629
cobalt;cyclooctane;pentane
CID 57373062
methane;pentane;propane
CID 169428492

Frequently Asked Questions

What is the IUPAC name of 1,3-dithiole;pentane?
The IUPAC name of 1,3-dithiole;pentane (CID 89438282) is 1,3-dithiole;pentane.
What is the SMILES notation for 1,3-dithiole;pentane?
The canonical SMILES for 1,3-dithiole;pentane is C1=CSCS1.CCCCC.
What is the InChIKey of 1,3-dithiole;pentane?
The InChIKey is TZSDSPPEGRRPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.C3H4S2/c1-3-5-4-2;1-2-5-3-4-1/h3-5H2,1-2H3;1-2H,3H2.
What are the key properties of 1,3-dithiole;pentane?
1,3-dithiole;pentane has a molecular weight of 176.35 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dithiole;pentane is sourced from PubChem (CID 89438282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).