2-methylsulfanyloxybut-2-ene

C5H10OS — CID 57221897

IUPAC2-methylsulfanyloxybut-2-ene
SMILESCC=C(C)OSC
InChIInChI=1S/C5H10OS/c1-4-5(2)6-7-3/h4H,1-3H3
InChIKeyFTJKYSXCOVJCQX-UHFFFAOYSA-N
MW118.20 g/mol
LogP2.20
Rot. Bonds2

About 2-methylsulfanyloxybut-2-ene

2-methylsulfanyloxybut-2-ene (PubChem CID 57221897) has the molecular formula C5H10OS and a molecular weight of 118.20 g/mol. Its IUPAC name is 2-methylsulfanyloxybut-2-ene.

Molecular Properties

Compound Name2-methylsulfanyloxybut-2-ene
PubChem CID57221897
Molecular FormulaC5H10OS
Molecular Weight118.20 g/mol
Exact Mass118.05
IUPAC Name2-methylsulfanyloxybut-2-ene
SMILESCC=C(C)OSC
InChIInChI=1S/C5H10OS/c1-4-5(2)6-7-3/h4H,1-3H3
InChIKeyFTJKYSXCOVJCQX-UHFFFAOYSA-N
XLogP2.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-2-prop-2-enoxybut-2-ene
CID 102099599
[(Z)-but-2-en-2-yl]oxymethanamine
CID 141115606
(Z)-2-[(Z)-prop-1-enoxy]but-2-ene
CID 142889095
N-[(Z)-but-2-en-2-yl]oxymethanamine
CID 129194467
but-2-en-2-yloxymethanamine
CID 54051343
O-methylsulfanyl carbamothioate
CID 175121464
(2E,5E)-3,5-dimethyl-4-prop-2-enoxyhepta-2,5-diene
CID 10954135
ethane;(Z)-2-[(Z)-prop-1-enoxy]but-2-ene
CID 142889094
(E)-2,3-dimethylpent-3-enal
CID 19695132
2-ethoxybut-2-ene;silane
CID 174428196
(Z)-3,4-dimethylpent-2-ene;ethane
CID 143977238
(4E,7E)-5,6,7-trimethylnona-1,4,7-triene
CID 20695263

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyloxybut-2-ene?
The IUPAC name of 2-methylsulfanyloxybut-2-ene (CID 57221897) is 2-methylsulfanyloxybut-2-ene.
What is the SMILES notation for 2-methylsulfanyloxybut-2-ene?
The canonical SMILES for 2-methylsulfanyloxybut-2-ene is CC=C(C)OSC.
What is the InChIKey of 2-methylsulfanyloxybut-2-ene?
The InChIKey is FTJKYSXCOVJCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10OS/c1-4-5(2)6-7-3/h4H,1-3H3.
What are the key properties of 2-methylsulfanyloxybut-2-ene?
2-methylsulfanyloxybut-2-ene has a molecular weight of 118.20 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyloxybut-2-ene is sourced from PubChem (CID 57221897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).