(2S)-1-[(2S)-1-oxo-2-propan-2-ylsulfanylthiolan-2-yl]propan-2-ol

C10H20O2S2 — CID 100970308

IUPAC(2S)-1-[(2S)-1-oxo-2-propan-2-ylsulfanylthiolan-2-yl]propan-2-ol
SMILESCC(C)S[C@@]1(C[C@H](C)O)CCCS1=O
InChIInChI=1S/C10H20O2S2/c1-8(2)13-10(7-9(3)11)5-4-6-14(10)12/h8-9,11H,4-7H2,1-3H3/t9-,10-,14?/m0/s1
InChIKeyPUKBZIITXOREEC-SRQCHHPUSA-N
MW236.40 g/mol
LogP2.14
Rot. Bonds4

About (2S)-1-[(2S)-1-oxo-2-propan-2-ylsulfanylthiolan-2-yl]propan-2-ol

(2S)-1-[(2S)-1-oxo-2-propan-2-ylsulfanylthiolan-2-yl]propan-2-ol (PubChem CID 100970308) has the molecular formula C10H20O2S2 and a molecular weight of 236.40 g/mol. Its IUPAC name is (2S)-1-[(2S)-1-oxo-2-propan-2-ylsulfanylthiolan-2-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2S)-1-oxo-2-propan-2-ylsulfanylthiolan-2-yl]propan-2-ol
PubChem CID100970308
Molecular FormulaC10H20O2S2
Molecular Weight236.40 g/mol
Exact Mass236.09
IUPAC Name(2S)-1-[(2S)-1-oxo-2-propan-2-ylsulfanylthiolan-2-yl]propan-2-ol
SMILESCC(C)S[C@@]1(C[C@H](C)O)CCCS1=O
InChIInChI=1S/C10H20O2S2/c1-8(2)13-10(7-9(3)11)5-4-6-14(10)12/h8-9,11H,4-7H2,1-3H3/t9-,10-,14?/m0/s1
InChIKeyPUKBZIITXOREEC-SRQCHHPUSA-N
XLogP2.14
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[(2S)-1-oxo-2-propan-2-ylsulfanylthiolan-2-yl]propan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

(2R)-1-[(1R,2R)-1-oxo-2-propan-2-ylsulfanylthiolan-2-yl]propan-2-ol
CID 10633598
1-(1-aminocyclobutyl)propan-2-ol
CID 55284401
2,2-di(propan-2-yl)thiolane 1-oxide
CID 176798165
1-(1-ethylcyclobutyl)propan-2-ol
CID 126985384
1-(1-aminocycloheptyl)propan-2-ol
CID 115013932
1-propan-2-yl-1-propan-2-ylsulfanylcyclobutane
CID 164846029
(2R)-1-(1-aminocyclopropyl)propan-2-ol
CID 96637979
1-[1-(aminomethyl)cyclopentyl]propan-2-ol
CID 130514677
1-(2-methyloxiran-2-yl)propan-2-ol
CID 12835187
(1-propan-2-ylsulfanylcyclopropyl)methanol
CID 117034830
1-propan-2-ylsulfanylcyclohexane-1-carboxylic acid
CID 61342373
1-(2-hydroxypropyl)-4-methylcyclohexane-1-carbaldehyde
CID 130630803

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-1-oxo-2-propan-2-ylsulfanylthiolan-2-yl]propan-2-ol?
The IUPAC name of (2S)-1-[(2S)-1-oxo-2-propan-2-ylsulfanylthiolan-2-yl]propan-2-ol (CID 100970308) is (2S)-1-[(2S)-1-oxo-2-propan-2-ylsulfanylthiolan-2-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[(2S)-1-oxo-2-propan-2-ylsulfanylthiolan-2-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[(2S)-1-oxo-2-propan-2-ylsulfanylthiolan-2-yl]propan-2-ol is CC(C)S[C@@]1(C[C@H](C)O)CCCS1=O.
What is the InChIKey of (2S)-1-[(2S)-1-oxo-2-propan-2-ylsulfanylthiolan-2-yl]propan-2-ol?
The InChIKey is PUKBZIITXOREEC-SRQCHHPUSA-N. The full InChI is InChI=1S/C10H20O2S2/c1-8(2)13-10(7-9(3)11)5-4-6-14(10)12/h8-9,11H,4-7H2,1-3H3/t9-,10-,14?/m0/s1.
What are the key properties of (2S)-1-[(2S)-1-oxo-2-propan-2-ylsulfanylthiolan-2-yl]propan-2-ol?
(2S)-1-[(2S)-1-oxo-2-propan-2-ylsulfanylthiolan-2-yl]propan-2-ol has a molecular weight of 236.40 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-1-oxo-2-propan-2-ylsulfanylthiolan-2-yl]propan-2-ol is sourced from PubChem (CID 100970308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).