(2S)-2-prop-1-en-2-ylthiolane

C7H12S — CID 643413

IUPAC(2S)-2-prop-1-en-2-ylthiolane
SMILESC=C(C)[C@@H]1CCCS1
InChIInChI=1S/C7H12S/c1-6(2)7-4-3-5-8-7/h7H,1,3-5H2,2H3/t7-/m0/s1
InChIKeySTRFZXOLHYULJD-ZETCQYMHSA-N
MW128.24 g/mol
LogP2.46
Rot. Bonds1

About (2S)-2-prop-1-en-2-ylthiolane

(2S)-2-prop-1-en-2-ylthiolane (PubChem CID 643413) has the molecular formula C7H12S and a molecular weight of 128.24 g/mol. Its IUPAC name is (2S)-2-prop-1-en-2-ylthiolane.

Molecular Properties

Compound Name(2S)-2-prop-1-en-2-ylthiolane
PubChem CID643413
Molecular FormulaC7H12S
Molecular Weight128.24 g/mol
Exact Mass128.07
IUPAC Name(2S)-2-prop-1-en-2-ylthiolane
SMILESC=C(C)[C@@H]1CCCS1
InChIInChI=1S/C7H12S/c1-6(2)7-4-3-5-8-7/h7H,1,3-5H2,2H3/t7-/m0/s1
InChIKeySTRFZXOLHYULJD-ZETCQYMHSA-N
XLogP2.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.24
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-(thiolan-2-yl)but-3-en-1-one
CID 80621713
2-methyl-1-[(2S)-thiolan-2-yl]propan-1-one
CID 142011998
thiolane-2-carbothioamide
CID 80619873
2-amino-1-(thiolan-2-yl)propan-1-one
CID 115012507
N,N-diethylthiolane-2-carboxamide
CID 64592668
N-tert-butylthiolane-2-carboxamide
CID 64590756
methyl 3-(thian-2-yl)but-3-enoate
CID 117268580
ethane;2-prop-1-en-2-yl-1,3-dithiolane
CID 154644686
1-(thian-2-yl)prop-2-en-1-one
CID 80622300
3-ethyl-1-(thiolan-2-yl)pentan-1-one
CID 82920307
1-(thiolan-2-yl)dodecan-1-one
CID 65427493
2-methylsulfonyl-1-(thiolan-2-yl)propan-1-one
CID 104519789

Frequently Asked Questions

What is the IUPAC name of (2S)-2-prop-1-en-2-ylthiolane?
The IUPAC name of (2S)-2-prop-1-en-2-ylthiolane (CID 643413) is (2S)-2-prop-1-en-2-ylthiolane.
What is the SMILES notation for (2S)-2-prop-1-en-2-ylthiolane?
The canonical SMILES for (2S)-2-prop-1-en-2-ylthiolane is C=C(C)[C@@H]1CCCS1.
What is the InChIKey of (2S)-2-prop-1-en-2-ylthiolane?
The InChIKey is STRFZXOLHYULJD-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H12S/c1-6(2)7-4-3-5-8-7/h7H,1,3-5H2,2H3/t7-/m0/s1.
What are the key properties of (2S)-2-prop-1-en-2-ylthiolane?
(2S)-2-prop-1-en-2-ylthiolane has a molecular weight of 128.24 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-prop-1-en-2-ylthiolane is sourced from PubChem (CID 643413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).