(2R)-2-methylthiolane-2-carbaldehyde

C6H10OS — CID 124596939

IUPAC(2R)-2-methylthiolane-2-carbaldehyde
SMILESC[C@]1(C=O)CCCS1
InChIInChI=1S/C6H10OS/c1-6(5-7)3-2-4-8-6/h5H,2-4H2,1H3/t6-/m1/s1
InChIKeyFLZPPWDYVMPKOX-ZCFIWIBFSA-N
MW130.21 g/mol
LogP1.47
Rot. Bonds1

About (2R)-2-methylthiolane-2-carbaldehyde

(2R)-2-methylthiolane-2-carbaldehyde (PubChem CID 124596939) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is (2R)-2-methylthiolane-2-carbaldehyde.

Molecular Properties

Compound Name(2R)-2-methylthiolane-2-carbaldehyde
PubChem CID124596939
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name(2R)-2-methylthiolane-2-carbaldehyde
SMILESC[C@]1(C=O)CCCS1
InChIInChI=1S/C6H10OS/c1-6(5-7)3-2-4-8-6/h5H,2-4H2,1H3/t6-/m1/s1
InChIKeyFLZPPWDYVMPKOX-ZCFIWIBFSA-N
XLogP1.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-[(E)-2-nitroethenyl]thiolane
CID 131242101
2-(3-methylbutan-2-yl)thiolane-2-carbaldehyde
CID 130712482
2-methyl-1-(2-methylthiolan-2-yl)propan-1-one
CID 81452515
2,2-dichlorothiolane
CID 22245368
2-(3-chloropropyl)thiolane-2-carbaldehyde
CID 131231202
5-(2-methylthiolan-2-yl)oxolane-2-carbaldehyde
CID 130692938
3-(2-methyl-1,3-dithian-2-yl)propanal
CID 101026062
2-methylthiolane-2-carbonitrile
CID 58894061
(2R)-2-methylthiolane-2-carbonitrile
CID 97036581
(2R)-2-ethyl-2-methylthiane
CID 170599361
2-[(2S)-2-methylthiolan-2-yl]acetic acid
CID 129363672
2-[(2,2-difluorocyclopropyl)methyl]thiolane-2-carbaldehyde
CID 164659814

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methylthiolane-2-carbaldehyde?
The IUPAC name of (2R)-2-methylthiolane-2-carbaldehyde (CID 124596939) is (2R)-2-methylthiolane-2-carbaldehyde.
What is the SMILES notation for (2R)-2-methylthiolane-2-carbaldehyde?
The canonical SMILES for (2R)-2-methylthiolane-2-carbaldehyde is C[C@]1(C=O)CCCS1.
What is the InChIKey of (2R)-2-methylthiolane-2-carbaldehyde?
The InChIKey is FLZPPWDYVMPKOX-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H10OS/c1-6(5-7)3-2-4-8-6/h5H,2-4H2,1H3/t6-/m1/s1.
What are the key properties of (2R)-2-methylthiolane-2-carbaldehyde?
(2R)-2-methylthiolane-2-carbaldehyde has a molecular weight of 130.21 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methylthiolane-2-carbaldehyde is sourced from PubChem (CID 124596939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).