(4S)-4-[2-[[(4R)-2-oxo-1,3-dioxolan-4-yl]methylsulfanyl]ethylsulfanylmethyl]-1,3-dioxolan-2-one

C10H14O6S2 — CID 139055033

IUPAC(4S)-4-[2-[[(4R)-2-oxo-1,3-dioxolan-4-yl]methylsulfanyl]ethylsulfanylmethyl]-1,3-dioxolan-2-one
SMILESO=C1OC[C@H](CSCCSC[C@@H]2COC(=O)O2)O1
InChIInChI=1S/C10H14O6S2/c11-9-13-3-7(15-9)5-17-1-2-18-6-8-4-14-10(12)16-8/h7-8H,1-6H2/t7-,8+
InChIKeySKTKFHDXJBKASK-OCAPTIKFSA-N
MW294.35 g/mol
LogP1.52
Rot. Bonds7

About (4S)-4-[2-[[(4R)-2-oxo-1,3-dioxolan-4-yl]methylsulfanyl]ethylsulfanylmethyl]-1,3-dioxolan-2-one

(4S)-4-[2-[[(4R)-2-oxo-1,3-dioxolan-4-yl]methylsulfanyl]ethylsulfanylmethyl]-1,3-dioxolan-2-one (PubChem CID 139055033) has the molecular formula C10H14O6S2 and a molecular weight of 294.35 g/mol. Its IUPAC name is (4S)-4-[2-[[(4R)-2-oxo-1,3-dioxolan-4-yl]methylsulfanyl]ethylsulfanylmethyl]-1,3-dioxolan-2-one.

Molecular Properties

Compound Name(4S)-4-[2-[[(4R)-2-oxo-1,3-dioxolan-4-yl]methylsulfanyl]ethylsulfanylmethyl]-1,3-dioxolan-2-one
PubChem CID139055033
Molecular FormulaC10H14O6S2
Molecular Weight294.35 g/mol
Exact Mass294.02
IUPAC Name(4S)-4-[2-[[(4R)-2-oxo-1,3-dioxolan-4-yl]methylsulfanyl]ethylsulfanylmethyl]-1,3-dioxolan-2-one
SMILESO=C1OC[C@H](CSCCSC[C@@H]2COC(=O)O2)O1
InChIInChI=1S/C10H14O6S2/c11-9-13-3-7(15-9)5-17-1-2-18-6-8-4-14-10(12)16-8/h7-8H,1-6H2/t7-,8+
InChIKeySKTKFHDXJBKASK-OCAPTIKFSA-N
XLogP1.52
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Tetrahydrothieno[3,4-d][1,3]dioxol-2-one
CID 327188
(R)-2-[(R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-1,3-oxathiolan-5-one
CID 139076898
4-[3-[2-[2-[2-[3-[(2-Oxo-1,3-dioxolan-4-yl)methoxy]propylsulfanyl]ethoxy]ethoxy]ethylsulfanyl]propoxymethyl]-1,3-dioxolan-2-one
CID 155926820
4-(Butylsulfanylmethyl)-1,3-dioxolan-2-one
CID 14365995
S-[(2-oxo-1,3-dioxolan-4-yl)methyl] ethanethioate
CID 20233083
4-Methyl-1,3-dioxolan-2-one;thiolane 1,1-dioxide
CID 70151452
4-[2-[6-[2-(2-Oxo-1,3-dioxolan-4-yl)ethylsulfanyl]hexylsulfanyl]ethyl]-1,3-dioxolan-2-one
CID 90265126
4-[4-[2-[4-(2-Oxo-1,3-dioxolan-4-yl)butylsulfanyl]ethylsulfanyl]butyl]-1,3-dioxolan-2-one
CID 101093537
4-[2-[2-[2-[2-(2-Oxo-1,3-dioxolan-4-yl)ethylsulfanyl]ethoxy]ethylsulfanyl]ethyl]-1,3-dioxolan-2-one
CID 118476387
4-[[Ethyl(dimethyl)-lambda4-sulfanyl]methyl]-5-methyl-1,3-dioxolan-2-one
CID 123197489
4-[Dimethyl(sulfanyl)-lambda4-sulfanyl]-5-methyl-1,3-dioxolan-2-one
CID 123618894
5-[2-[(2-Oxo-1,3-oxathiolan-5-yl)methoxy]ethoxymethyl]-1,3-oxathiolan-2-one
CID 154608104

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[2-[[(4R)-2-oxo-1,3-dioxolan-4-yl]methylsulfanyl]ethylsulfanylmethyl]-1,3-dioxolan-2-one?
The IUPAC name of (4S)-4-[2-[[(4R)-2-oxo-1,3-dioxolan-4-yl]methylsulfanyl]ethylsulfanylmethyl]-1,3-dioxolan-2-one (CID 139055033) is (4S)-4-[2-[[(4R)-2-oxo-1,3-dioxolan-4-yl]methylsulfanyl]ethylsulfanylmethyl]-1,3-dioxolan-2-one.
What is the SMILES notation for (4S)-4-[2-[[(4R)-2-oxo-1,3-dioxolan-4-yl]methylsulfanyl]ethylsulfanylmethyl]-1,3-dioxolan-2-one?
The canonical SMILES for (4S)-4-[2-[[(4R)-2-oxo-1,3-dioxolan-4-yl]methylsulfanyl]ethylsulfanylmethyl]-1,3-dioxolan-2-one is O=C1OC[C@H](CSCCSC[C@@H]2COC(=O)O2)O1.
What is the InChIKey of (4S)-4-[2-[[(4R)-2-oxo-1,3-dioxolan-4-yl]methylsulfanyl]ethylsulfanylmethyl]-1,3-dioxolan-2-one?
The InChIKey is SKTKFHDXJBKASK-OCAPTIKFSA-N. The full InChI is InChI=1S/C10H14O6S2/c11-9-13-3-7(15-9)5-17-1-2-18-6-8-4-14-10(12)16-8/h7-8H,1-6H2/t7-,8+.
What are the key properties of (4S)-4-[2-[[(4R)-2-oxo-1,3-dioxolan-4-yl]methylsulfanyl]ethylsulfanylmethyl]-1,3-dioxolan-2-one?
(4S)-4-[2-[[(4R)-2-oxo-1,3-dioxolan-4-yl]methylsulfanyl]ethylsulfanylmethyl]-1,3-dioxolan-2-one has a molecular weight of 294.35 g/mol, XLogP of 1.52, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[2-[[(4R)-2-oxo-1,3-dioxolan-4-yl]methylsulfanyl]ethylsulfanylmethyl]-1,3-dioxolan-2-one is sourced from PubChem (CID 139055033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).