(3-methylthiiran-2-yl) 2-methylprop-2-enoate

C7H10O2S — CID 54303690

IUPAC(3-methylthiiran-2-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1SC1C
InChIInChI=1S/C7H10O2S/c1-4(2)6(8)9-7-5(3)10-7/h5,7H,1H2,2-3H3
InChIKeySFZKJVYTJBVJAT-UHFFFAOYSA-N
MW158.22 g/mol
LogP1.57
Rot. Bonds2

About (3-methylthiiran-2-yl) 2-methylprop-2-enoate

(3-methylthiiran-2-yl) 2-methylprop-2-enoate (PubChem CID 54303690) has the molecular formula C7H10O2S and a molecular weight of 158.22 g/mol. Its IUPAC name is (3-methylthiiran-2-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(3-methylthiiran-2-yl) 2-methylprop-2-enoate
PubChem CID54303690
Molecular FormulaC7H10O2S
Molecular Weight158.22 g/mol
Exact Mass158.04
IUPAC Name(3-methylthiiran-2-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1SC1C
InChIInChI=1S/C7H10O2S/c1-4(2)6(8)9-7-5(3)10-7/h5,7H,1H2,2-3H3
InChIKeySFZKJVYTJBVJAT-UHFFFAOYSA-N
XLogP1.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1,4-dithian-2-yl 2-methylprop-2-enoate
CID 59157299
oxiran-2-yl 2-methylprop-2-enoate
CID 20678066
(2-propan-2-ylidenecyclopentyl) 2-methylprop-2-enoate
CID 90261948
1,4-dithiepan-2-yl 2-methylprop-2-enoate;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 89314767
(3-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
CID 101111135
2-methylprop-1-ene;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 170331800
2-adamantyl 2-methylprop-2-enoate
CID 12039948
cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene
CID 174922373
prop-1-en-2-yl 2-methylprop-2-eneperoxoate
CID 175421471
[(5R)-5-cyano-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
CID 102070522
(5-methyl-1,4-oxathian-2-yl) 2-methylprop-2-enoate
CID 58183697
cyclododecyl 2-methylprop-2-enoate;methane
CID 174824208

Frequently Asked Questions

What is the IUPAC name of (3-methylthiiran-2-yl) 2-methylprop-2-enoate?
The IUPAC name of (3-methylthiiran-2-yl) 2-methylprop-2-enoate (CID 54303690) is (3-methylthiiran-2-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (3-methylthiiran-2-yl) 2-methylprop-2-enoate?
The canonical SMILES for (3-methylthiiran-2-yl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1SC1C.
What is the InChIKey of (3-methylthiiran-2-yl) 2-methylprop-2-enoate?
The InChIKey is SFZKJVYTJBVJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2S/c1-4(2)6(8)9-7-5(3)10-7/h5,7H,1H2,2-3H3.
What are the key properties of (3-methylthiiran-2-yl) 2-methylprop-2-enoate?
(3-methylthiiran-2-yl) 2-methylprop-2-enoate has a molecular weight of 158.22 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylthiiran-2-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 54303690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).