methyl 2-(methylsulfanylmethyl)prop-2-enoate

C6H10O2S — CID 10749323

IUPACmethyl 2-(methylsulfanylmethyl)prop-2-enoate
SMILESC=C(CSC)C(=O)OC
InChIInChI=1S/C6H10O2S/c1-5(4-9-3)6(7)8-2/h1,4H2,2-3H3
InChIKeyABASLGYGGRPGDN-UHFFFAOYSA-N
MW146.21 g/mol
LogP1.08
Rot. Bonds3

About methyl 2-(methylsulfanylmethyl)prop-2-enoate

methyl 2-(methylsulfanylmethyl)prop-2-enoate (PubChem CID 10749323) has the molecular formula C6H10O2S and a molecular weight of 146.21 g/mol. Its IUPAC name is methyl 2-(methylsulfanylmethyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-(methylsulfanylmethyl)prop-2-enoate
PubChem CID10749323
Molecular FormulaC6H10O2S
Molecular Weight146.21 g/mol
Exact Mass146.04
IUPAC Namemethyl 2-(methylsulfanylmethyl)prop-2-enoate
SMILESC=C(CSC)C(=O)OC
InChIInChI=1S/C6H10O2S/c1-5(4-9-3)6(7)8-2/h1,4H2,2-3H3
InChIKeyABASLGYGGRPGDN-UHFFFAOYSA-N
XLogP1.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hydron;methyl 2-methylidenebutanoate
CID 174760127
2-(methylsulfanylmethyl)prop-2-enoic acid
CID 23336173
methyl 2-methylidenebutanoate;propan-2-one
CID 174771904
3-methoxycarbonylbut-3-enoic acid
CID 4613903
dipotassium;dimethyl 2-methylidenebutanedioate;hydride
CID 174338040
2-methoxycarbonylprop-2-enyl(trimethyl)azanium chloride
CID 174784224
methyl 2-methylidene-4-methylperoxybutanoate
CID 59930840
4-O-(methoxymethyl) 1-O-methyl 2-methylidenebutanedioate
CID 23571779
dimethyl (2R)-2-hydroxy-4-methylidenepentanedioate
CID 88938742
methyl 4-ethyl-2-methylidenehexanoate
CID 126640126
methyl 2-methylidenehex-5-enoate
CID 12706152
4-O-ethyl 1-O-methyl 2-methylidenebutanedioate
CID 12527732

Frequently Asked Questions

What is the IUPAC name of methyl 2-(methylsulfanylmethyl)prop-2-enoate?
The IUPAC name of methyl 2-(methylsulfanylmethyl)prop-2-enoate (CID 10749323) is methyl 2-(methylsulfanylmethyl)prop-2-enoate.
What is the SMILES notation for methyl 2-(methylsulfanylmethyl)prop-2-enoate?
The canonical SMILES for methyl 2-(methylsulfanylmethyl)prop-2-enoate is C=C(CSC)C(=O)OC.
What is the InChIKey of methyl 2-(methylsulfanylmethyl)prop-2-enoate?
The InChIKey is ABASLGYGGRPGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2S/c1-5(4-9-3)6(7)8-2/h1,4H2,2-3H3.
What are the key properties of methyl 2-(methylsulfanylmethyl)prop-2-enoate?
methyl 2-(methylsulfanylmethyl)prop-2-enoate has a molecular weight of 146.21 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methylsulfanylmethyl)prop-2-enoate is sourced from PubChem (CID 10749323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).