2-[(Z)-but-2-en-2-yl]sulfanyl-3-methylbut-1-ene

C9H16S — CID 155737131

IUPAC2-[(Z)-but-2-en-2-yl]sulfanyl-3-methylbut-1-ene
SMILESC=C(S/C(C)=C\C)C(C)C
InChIInChI=1S/C9H16S/c1-6-8(4)10-9(5)7(2)3/h6-7H,5H2,1-4H3/b8-6-
InChIKeyOYGNUZLIKVPEPJ-VURMDHGXSA-N
MW156.29 g/mol
LogP3.81
Rot. Bonds3

About 2-[(Z)-but-2-en-2-yl]sulfanyl-3-methylbut-1-ene

2-[(Z)-but-2-en-2-yl]sulfanyl-3-methylbut-1-ene (PubChem CID 155737131) has the molecular formula C9H16S and a molecular weight of 156.29 g/mol. Its IUPAC name is 2-[(Z)-but-2-en-2-yl]sulfanyl-3-methylbut-1-ene.

Molecular Properties

Compound Name2-[(Z)-but-2-en-2-yl]sulfanyl-3-methylbut-1-ene
PubChem CID155737131
Molecular FormulaC9H16S
Molecular Weight156.29 g/mol
Exact Mass156.10
IUPAC Name2-[(Z)-but-2-en-2-yl]sulfanyl-3-methylbut-1-ene
SMILESC=C(S/C(C)=C\C)C(C)C
InChIInChI=1S/C9H16S/c1-6-8(4)10-9(5)7(2)3/h6-7H,5H2,1-4H3/b8-6-
InChIKeyOYGNUZLIKVPEPJ-VURMDHGXSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.29
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-2-buta-1,3-dien-2-ylsulfanylbut-2-ene
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3-methyl-2-[(Z)-prop-1-enyl]sulfanylbut-1-ene
CID 126523735
ethane;(Z)-N-(3-methylbut-1-en-2-ylsulfanyl)ethanimine
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CID 174026996
CID 174026996
2-(prop-1-en-2-yldisulfanyl)but-2-ene
CID 123927518
4-methyl-2-prop-1-en-2-ylhex-4-en-1-ol
CID 73412839
5-[1-[(Z)-but-2-en-2-yl]sulfanylethenyl]-2,2-dimethyl-1,3-dioxan-5-ol
CID 146617592
2,3-dimethylbutane;bis(2,3-dimethylbut-1-ene)
CID 158413804
9-[(Z)-but-2-en-2-yl]sulfanyl-2-methyl-4-methylidenedeca-1,9-diene
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(Z)-3,5-dimethyl-4-methylidenehex-2-ene;propane
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(Z)-2-[(Z)-but-2-en-2-yl]sulfanylbut-2-en-1-amine
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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-but-2-en-2-yl]sulfanyl-3-methylbut-1-ene?
The IUPAC name of 2-[(Z)-but-2-en-2-yl]sulfanyl-3-methylbut-1-ene (CID 155737131) is 2-[(Z)-but-2-en-2-yl]sulfanyl-3-methylbut-1-ene.
What is the SMILES notation for 2-[(Z)-but-2-en-2-yl]sulfanyl-3-methylbut-1-ene?
The canonical SMILES for 2-[(Z)-but-2-en-2-yl]sulfanyl-3-methylbut-1-ene is C=C(S/C(C)=C\C)C(C)C.
What is the InChIKey of 2-[(Z)-but-2-en-2-yl]sulfanyl-3-methylbut-1-ene?
The InChIKey is OYGNUZLIKVPEPJ-VURMDHGXSA-N. The full InChI is InChI=1S/C9H16S/c1-6-8(4)10-9(5)7(2)3/h6-7H,5H2,1-4H3/b8-6-.
What are the key properties of 2-[(Z)-but-2-en-2-yl]sulfanyl-3-methylbut-1-ene?
2-[(Z)-but-2-en-2-yl]sulfanyl-3-methylbut-1-ene has a molecular weight of 156.29 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-but-2-en-2-yl]sulfanyl-3-methylbut-1-ene is sourced from PubChem (CID 155737131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).