(3R,4S)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,1-dioxothiolan-3-ol

C8H11NO3S3 — CID 126847695

IUPAC(3R,4S)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,1-dioxothiolan-3-ol
SMILESCc1csc(S[C@@H]2CS(=O)(=O)C[C@H]2O)n1
InChIInChI=1S/C8H11NO3S3/c1-5-2-13-8(9-5)14-7-4-15(11,12)3-6(7)10/h2,6-7,10H,3-4H2,1H3/t6-,7-/m1/s1
InChIKeyGCEFHIXIOBXYMC-RNFRBKRXSA-N
MW265.38 g/mol
LogP0.70
Rot. Bonds2

About (3R,4S)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,1-dioxothiolan-3-ol

(3R,4S)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,1-dioxothiolan-3-ol (PubChem CID 126847695) has the molecular formula C8H11NO3S3 and a molecular weight of 265.38 g/mol. Its IUPAC name is (3R,4S)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,1-dioxothiolan-3-ol
PubChem CID126847695
Molecular FormulaC8H11NO3S3
Molecular Weight265.38 g/mol
Exact Mass264.99
IUPAC Name(3R,4S)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,1-dioxothiolan-3-ol
SMILESCc1csc(S[C@@H]2CS(=O)(=O)C[C@H]2O)n1
InChIInChI=1S/C8H11NO3S3/c1-5-2-13-8(9-5)14-7-4-15(11,12)3-6(7)10/h2,6-7,10H,3-4H2,1H3/t6-,7-/m1/s1
InChIKeyGCEFHIXIOBXYMC-RNFRBKRXSA-N
XLogP0.70
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R,4S)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,1-dioxothiolan-3-ol with MolForge

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Related Compounds

trans-(1S,2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentan-1-ol
CID 102735669
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentane-1-carboxylic acid
CID 63100311
4-(5-methylpyrimidin-2-yl)sulfanyl-1,1-dioxothiolan-3-ol
CID 61382894
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile
CID 43293177
4-(2,4-dimethylphenyl)sulfanyl-1,1-dioxothiolan-3-ol
CID 60670896
2,2-dimethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexan-1-amine
CID 79847182
4-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,1-dioxothiolan-3-ol
CID 61469029
N-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3,4-dihydro-2H-chromen-4-amine
CID 64647841
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,1-dioxothietan-3-amine
CID 131025858
2-(8-azabicyclo[3.2.1]octan-3-ylsulfanyl)-4-methyl-1,3-thiazole;hydrochloride
CID 72716486
ethyl 4-amino-2-(4-hydroxy-1,1-dioxothiolan-3-yl)sulfanylpyrimidine-5-carboxylate
CID 115330645
1,1-dioxo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]thiolan-3-ol
CID 60669758

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,1-dioxothiolan-3-ol?
The IUPAC name of (3R,4S)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,1-dioxothiolan-3-ol (CID 126847695) is (3R,4S)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,1-dioxothiolan-3-ol.
What is the SMILES notation for (3R,4S)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,1-dioxothiolan-3-ol?
The canonical SMILES for (3R,4S)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,1-dioxothiolan-3-ol is Cc1csc(S[C@@H]2CS(=O)(=O)C[C@H]2O)n1.
What is the InChIKey of (3R,4S)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,1-dioxothiolan-3-ol?
The InChIKey is GCEFHIXIOBXYMC-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H11NO3S3/c1-5-2-13-8(9-5)14-7-4-15(11,12)3-6(7)10/h2,6-7,10H,3-4H2,1H3/t6-,7-/m1/s1.
What are the key properties of (3R,4S)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,1-dioxothiolan-3-ol?
(3R,4S)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,1-dioxothiolan-3-ol has a molecular weight of 265.38 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 126847695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).