(2R,3S)-2,3-dipropyl-1,4-dithiane

C10H20S2 — CID 643418

IUPAC(2R,3S)-2,3-dipropyl-1,4-dithiane
SMILESCCC[C@@H]1SCCS[C@@H]1CCC
InChIInChI=1S/C10H20S2/c1-3-5-9-10(6-4-2)12-8-7-11-9/h9-10H,3-8H2,1-2H3/t9-,10+
InChIKeyVECHIVASABVJRM-AOOOYVTPSA-N
MW204.40 g/mol
LogP3.80
Rot. Bonds4

About (2R,3S)-2,3-dipropyl-1,4-dithiane

(2R,3S)-2,3-dipropyl-1,4-dithiane (PubChem CID 643418) has the molecular formula C10H20S2 and a molecular weight of 204.40 g/mol. Its IUPAC name is (2R,3S)-2,3-dipropyl-1,4-dithiane.

Molecular Properties

Compound Name(2R,3S)-2,3-dipropyl-1,4-dithiane
PubChem CID643418
Molecular FormulaC10H20S2
Molecular Weight204.40 g/mol
Exact Mass204.10
IUPAC Name(2R,3S)-2,3-dipropyl-1,4-dithiane
SMILESCCC[C@@H]1SCCS[C@@H]1CCC
InChIInChI=1S/C10H20S2/c1-3-5-9-10(6-4-2)12-8-7-11-9/h9-10H,3-8H2,1-2H3/t9-,10+
InChIKeyVECHIVASABVJRM-AOOOYVTPSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.40
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-propylthiolan-3-ol
CID 10419326
2-propyl-3-(2-propylthiolan-3-yl)oxythiolane
CID 90401479
[3-(sulfanylmethyl)-1,4-dithian-2-yl]methanethiol
CID 87773315
(2R,3R)-2,3-bis(chloromethyl)-1,4-dithiane
CID 14568550
2-[2-(1,3-dithiolan-2-yl)ethyl]-1,3-dithiolane
CID 13199381
2-butylthietane
CID 102085907
(2R)-2-propylthiolan-3-one
CID 70123125
1-(3-ethyl-1,4-dithian-2-yl)-2-methylpentan-1-ol
CID 107893015
2-methyl-4-propylcyclobutan-1-ol
CID 91553284
2-ethylsulfanyl-3-propylthiirane
CID 151728970
1-(3-ethyl-1,4-dithian-2-yl)nonan-1-one
CID 115385863
1,1-dimethyl-3-propylcyclobutane
CID 19073360

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2,3-dipropyl-1,4-dithiane?
The IUPAC name of (2R,3S)-2,3-dipropyl-1,4-dithiane (CID 643418) is (2R,3S)-2,3-dipropyl-1,4-dithiane.
What is the SMILES notation for (2R,3S)-2,3-dipropyl-1,4-dithiane?
The canonical SMILES for (2R,3S)-2,3-dipropyl-1,4-dithiane is CCC[C@@H]1SCCS[C@@H]1CCC.
What is the InChIKey of (2R,3S)-2,3-dipropyl-1,4-dithiane?
The InChIKey is VECHIVASABVJRM-AOOOYVTPSA-N. The full InChI is InChI=1S/C10H20S2/c1-3-5-9-10(6-4-2)12-8-7-11-9/h9-10H,3-8H2,1-2H3/t9-,10+.
What are the key properties of (2R,3S)-2,3-dipropyl-1,4-dithiane?
(2R,3S)-2,3-dipropyl-1,4-dithiane has a molecular weight of 204.40 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2,3-dipropyl-1,4-dithiane is sourced from PubChem (CID 643418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).