(3R)-3-methyl-1,1-dioxothiolan-3-ol

C5H10O3S — CID 95023797

IUPAC(3R)-3-methyl-1,1-dioxothiolan-3-ol
SMILESC[C@@]1(O)CCS(=O)(=O)C1
InChIInChI=1S/C5H10O3S/c1-5(6)2-3-9(7,8)4-5/h6H,2-4H2,1H3/t5-/m1/s1
InChIKeyCDSSBBSQQZEXQD-RXMQYKEDSA-N
MW150.20 g/mol
LogP-0.44
Rot. Bonds

About (3R)-3-methyl-1,1-dioxothiolan-3-ol

(3R)-3-methyl-1,1-dioxothiolan-3-ol (PubChem CID 95023797) has the molecular formula C5H10O3S and a molecular weight of 150.20 g/mol. Its IUPAC name is (3R)-3-methyl-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name(3R)-3-methyl-1,1-dioxothiolan-3-ol
PubChem CID95023797
Molecular FormulaC5H10O3S
Molecular Weight150.20 g/mol
Exact Mass150.04
IUPAC Name(3R)-3-methyl-1,1-dioxothiolan-3-ol
SMILESC[C@@]1(O)CCS(=O)(=O)C1
InChIInChI=1S/C5H10O3S/c1-5(6)2-3-9(7,8)4-5/h6H,2-4H2,1H3/t5-/m1/s1
InChIKeyCDSSBBSQQZEXQD-RXMQYKEDSA-N
XLogP-0.44
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1,1-dioxothian-4-ol
CID 58387715
3-ethyl-1,1-dioxothiolan-3-ol
CID 63162812
[(3R)-3-methyl-1,1-dioxothiolan-3-yl]azanium
CID 7059068
1-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-2,2-dimethylcyclopentan-1-ol
CID 115338635
3-ethenyl-3-methylthiolane 1,1-dioxide
CID 162359414
N,3-dimethyl-1,1-dioxothiolan-3-amine;hydrochloride
CID 18559021
3-(difluoromethyl)-1,1-dioxothiolan-3-ol
CID 80605805
N-methyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 7452402
2,2-dimethyl-6,6-dioxo-6λ6-thiaspiro[2.4]heptane-1-carboxylic acid
CID 130488379
2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]ethanol
CID 7059103
[(3R)-3-methyl-1,1-dioxothiolan-3-yl]carbamodithioic acid
CID 7058895
(4-methyl-1,1-dioxothian-4-yl)methanol
CID 129107203

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1,1-dioxothiolan-3-ol?
The IUPAC name of (3R)-3-methyl-1,1-dioxothiolan-3-ol (CID 95023797) is (3R)-3-methyl-1,1-dioxothiolan-3-ol.
What is the SMILES notation for (3R)-3-methyl-1,1-dioxothiolan-3-ol?
The canonical SMILES for (3R)-3-methyl-1,1-dioxothiolan-3-ol is C[C@@]1(O)CCS(=O)(=O)C1.
What is the InChIKey of (3R)-3-methyl-1,1-dioxothiolan-3-ol?
The InChIKey is CDSSBBSQQZEXQD-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H10O3S/c1-5(6)2-3-9(7,8)4-5/h6H,2-4H2,1H3/t5-/m1/s1.
What are the key properties of (3R)-3-methyl-1,1-dioxothiolan-3-ol?
(3R)-3-methyl-1,1-dioxothiolan-3-ol has a molecular weight of 150.20 g/mol, XLogP of -0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 95023797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).