O-prop-2-enyl 2-methylprop-2-enethioate

C7H10OS — CID 59050365

IUPACO-prop-2-enyl 2-methylprop-2-enethioate
SMILESC=CCOC(=S)C(=C)C
InChIInChI=1S/C7H10OS/c1-4-5-8-7(9)6(2)3/h4H,1-2,5H2,3H3
InChIKeyWQYHKKKDNILYGD-UHFFFAOYSA-N
MW142.22 g/mol
LogP2.09
Rot. Bonds3

About O-prop-2-enyl 2-methylprop-2-enethioate

O-prop-2-enyl 2-methylprop-2-enethioate (PubChem CID 59050365) has the molecular formula C7H10OS and a molecular weight of 142.22 g/mol. Its IUPAC name is O-prop-2-enyl 2-methylprop-2-enethioate.

Molecular Properties

Compound NameO-prop-2-enyl 2-methylprop-2-enethioate
PubChem CID59050365
Molecular FormulaC7H10OS
Molecular Weight142.22 g/mol
Exact Mass142.05
IUPAC NameO-prop-2-enyl 2-methylprop-2-enethioate
SMILESC=CCOC(=S)C(=C)C
InChIInChI=1S/C7H10OS/c1-4-5-8-7(9)6(2)3/h4H,1-2,5H2,3H3
InChIKeyWQYHKKKDNILYGD-UHFFFAOYSA-N
XLogP2.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

O-(2-ethenoxyethyl) 2-methylprop-2-enethioate
CID 139619675
CID 102351890
CID 102351890
(E)-2-prop-2-enoxybut-2-ene
CID 102099599
3-prop-2-enoxybut-3-en-2-one
CID 71774350
4-prop-2-enoxypent-3-en-2-one
CID 71367685
ethoxyethane;prop-2-enyl 2-methylprop-2-enoate
CID 87074537
2-prop-2-enoxycarbonyloxyethyl 2-methylprop-2-enoate
CID 88775356
2-methylbut-2-enoic acid;prop-2-enyl 2-methylprop-2-enoate
CID 173460089
methyl 2-hydroxyprop-2-enoate;prop-2-enyl 2-methylprop-2-enoate
CID 175307353
2-methylprop-2-enoic acid;prop-2-enamide;prop-2-enyl prop-2-enoate
CID 87208594
1,4-bis(ethenyl)benzene;prop-2-enyl 2-methylprop-2-enoate
CID 174791645
(3E,5E)-2,6-dimethyl-4-prop-2-enoxynona-1,3,5-triene
CID 144935336

Frequently Asked Questions

What is the IUPAC name of O-prop-2-enyl 2-methylprop-2-enethioate?
The IUPAC name of O-prop-2-enyl 2-methylprop-2-enethioate (CID 59050365) is O-prop-2-enyl 2-methylprop-2-enethioate.
What is the SMILES notation for O-prop-2-enyl 2-methylprop-2-enethioate?
The canonical SMILES for O-prop-2-enyl 2-methylprop-2-enethioate is C=CCOC(=S)C(=C)C.
What is the InChIKey of O-prop-2-enyl 2-methylprop-2-enethioate?
The InChIKey is WQYHKKKDNILYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10OS/c1-4-5-8-7(9)6(2)3/h4H,1-2,5H2,3H3.
What are the key properties of O-prop-2-enyl 2-methylprop-2-enethioate?
O-prop-2-enyl 2-methylprop-2-enethioate has a molecular weight of 142.22 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-prop-2-enyl 2-methylprop-2-enethioate is sourced from PubChem (CID 59050365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).