methyl (Z)-2-methylsulfanylbut-2-enoate

C6H10O2S — CID 13377869

IUPACmethyl (Z)-2-methylsulfanylbut-2-enoate
SMILESC/C=C(\SC)C(=O)OC
InChIInChI=1S/C6H10O2S/c1-4-5(9-3)6(7)8-2/h4H,1-3H3/b5-4-
InChIKeyYFYWGUDKARPLQR-PLNGDYQASA-N
MW146.21 g/mol
LogP1.43
Rot. Bonds2

About methyl (Z)-2-methylsulfanylbut-2-enoate

methyl (Z)-2-methylsulfanylbut-2-enoate (PubChem CID 13377869) has the molecular formula C6H10O2S and a molecular weight of 146.21 g/mol. Its IUPAC name is methyl (Z)-2-methylsulfanylbut-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-methylsulfanylbut-2-enoate
PubChem CID13377869
Molecular FormulaC6H10O2S
Molecular Weight146.21 g/mol
Exact Mass146.04
IUPAC Namemethyl (Z)-2-methylsulfanylbut-2-enoate
SMILESC/C=C(\SC)C(=O)OC
InChIInChI=1S/C6H10O2S/c1-4-5(9-3)6(7)8-2/h4H,1-3H3/b5-4-
InChIKeyYFYWGUDKARPLQR-PLNGDYQASA-N
XLogP1.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 51.43
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

Methyl 3-(methylthio)-(E)-2-propenoate
CID 5369323
methyl (E)-4-methylsulfanylbut-2-enoate
CID 12349903
Methyl 3-(methylthio)-(Z)-2-propenoate
CID 5369322
3-(Methylsulfanyl)-2,5-dihydrofuran-2,5-dione
CID 21718668
methyl (2E,8E)-9-methylsulfanyldeca-2,8-dien-4,6-diynoate
CID 101417343
methyl (2E,6Z)-7-methylsulfanyldeca-2,6-dien-4,8-diynoate
CID 101417345
Methyl 9-methylsulfanyldeca-2,6,7,8-tetraen-4-ynoate
CID 162854098
Methyl 7-methylsulfanyldeca-2,6-dien-4,8-diynoate
CID 162924813
Methyl 9-methylsulfanyldeca-2,8-dien-4,6-diynoate
CID 162997947
Methyl 2-(methylsulfanyl)prop-2-enoate
CID 12887191
dimethyl (Z)-2-thiocyanatobut-2-enedioate
CID 12412098
Methyl (2E)-4-sulfanylbut-2-enoate
CID 13329741

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-methylsulfanylbut-2-enoate?
The IUPAC name of methyl (Z)-2-methylsulfanylbut-2-enoate (CID 13377869) is methyl (Z)-2-methylsulfanylbut-2-enoate.
What is the SMILES notation for methyl (Z)-2-methylsulfanylbut-2-enoate?
The canonical SMILES for methyl (Z)-2-methylsulfanylbut-2-enoate is C/C=C(\SC)C(=O)OC.
What is the InChIKey of methyl (Z)-2-methylsulfanylbut-2-enoate?
The InChIKey is YFYWGUDKARPLQR-PLNGDYQASA-N. The full InChI is InChI=1S/C6H10O2S/c1-4-5(9-3)6(7)8-2/h4H,1-3H3/b5-4-.
What are the key properties of methyl (Z)-2-methylsulfanylbut-2-enoate?
methyl (Z)-2-methylsulfanylbut-2-enoate has a molecular weight of 146.21 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-methylsulfanylbut-2-enoate is sourced from PubChem (CID 13377869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).