(2S)-4,4-dimethyl-2-pentan-3-yl-1,3-dithiolane

C10H20S2 — CID 134957094

IUPAC(2S)-4,4-dimethyl-2-pentan-3-yl-1,3-dithiolane
SMILESCCC(CC)[C@H]1SCC(C)(C)S1
InChIInChI=1S/C10H20S2/c1-5-8(6-2)9-11-7-10(3,4)12-9/h8-9H,5-7H2,1-4H3/t9-/m0/s1
InChIKeySLFNVEDIHVKXOF-VIFPVBQESA-N
MW204.40 g/mol
LogP4.01
Rot. Bonds3

About (2S)-4,4-dimethyl-2-pentan-3-yl-1,3-dithiolane

(2S)-4,4-dimethyl-2-pentan-3-yl-1,3-dithiolane (PubChem CID 134957094) has the molecular formula C10H20S2 and a molecular weight of 204.40 g/mol. Its IUPAC name is (2S)-4,4-dimethyl-2-pentan-3-yl-1,3-dithiolane.

Molecular Properties

Compound Name(2S)-4,4-dimethyl-2-pentan-3-yl-1,3-dithiolane
PubChem CID134957094
Molecular FormulaC10H20S2
Molecular Weight204.40 g/mol
Exact Mass204.10
IUPAC Name(2S)-4,4-dimethyl-2-pentan-3-yl-1,3-dithiolane
SMILESCCC(CC)[C@H]1SCC(C)(C)S1
InChIInChI=1S/C10H20S2/c1-5-8(6-2)9-11-7-10(3,4)12-9/h8-9H,5-7H2,1-4H3/t9-/m0/s1
InChIKeySLFNVEDIHVKXOF-VIFPVBQESA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.40
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,4-Trithiolane, 3,5-bis(1-methylethyl)-
CID 529049
3-Ethylthiolane
CID 575673
3,5-Bis(2-methylpropyl)-1,2,4-trithiolane
CID 21773712
1,3-Dithiolane, 2-(1-methylbutyl)-
CID 55010
(2S,3S)-2,3-dimethylthiolane
CID 58230848
3,5-Dibutyl-1,2,4-trithiolane
CID 71350468
3-Ethyl-5-(2-methylpropyl)-1,2,4-trithiolane
CID 21773706
3-Methyl-5-(2-methylpropyl)-1,2,4-trithiolane
CID 21773708
3-(2-Methylpropyl)-5-propan-2-yl-1,2,4-trithiolane
CID 21773711
2,3-Dimethyltetrahydrothiophene
CID 568054
trans-2,3-Dimethyl-thiacyclopentane
CID 71366060
1,3-Dithiolane, 2-(1-methylbutyl)-4-methyl-
CID 55019

Frequently Asked Questions

What is the IUPAC name of (2S)-4,4-dimethyl-2-pentan-3-yl-1,3-dithiolane?
The IUPAC name of (2S)-4,4-dimethyl-2-pentan-3-yl-1,3-dithiolane (CID 134957094) is (2S)-4,4-dimethyl-2-pentan-3-yl-1,3-dithiolane.
What is the SMILES notation for (2S)-4,4-dimethyl-2-pentan-3-yl-1,3-dithiolane?
The canonical SMILES for (2S)-4,4-dimethyl-2-pentan-3-yl-1,3-dithiolane is CCC(CC)[C@H]1SCC(C)(C)S1.
What is the InChIKey of (2S)-4,4-dimethyl-2-pentan-3-yl-1,3-dithiolane?
The InChIKey is SLFNVEDIHVKXOF-VIFPVBQESA-N. The full InChI is InChI=1S/C10H20S2/c1-5-8(6-2)9-11-7-10(3,4)12-9/h8-9H,5-7H2,1-4H3/t9-/m0/s1.
What are the key properties of (2S)-4,4-dimethyl-2-pentan-3-yl-1,3-dithiolane?
(2S)-4,4-dimethyl-2-pentan-3-yl-1,3-dithiolane has a molecular weight of 204.40 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4,4-dimethyl-2-pentan-3-yl-1,3-dithiolane is sourced from PubChem (CID 134957094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).