3-methyl-2-[(Z)-prop-1-enyl]sulfanylbut-1-ene

C8H14S — CID 126523735

IUPAC3-methyl-2-[(Z)-prop-1-enyl]sulfanylbut-1-ene
SMILESC=C(S/C=C\C)C(C)C
InChIInChI=1S/C8H14S/c1-5-6-9-8(4)7(2)3/h5-7H,4H2,1-3H3/b6-5-
InChIKeyYVTADPZDQPELIJ-WAYWQWQTSA-N
MW142.27 g/mol
LogP3.42
Rot. Bonds3

About 3-methyl-2-[(Z)-prop-1-enyl]sulfanylbut-1-ene

3-methyl-2-[(Z)-prop-1-enyl]sulfanylbut-1-ene (PubChem CID 126523735) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is 3-methyl-2-[(Z)-prop-1-enyl]sulfanylbut-1-ene.

Molecular Properties

Compound Name3-methyl-2-[(Z)-prop-1-enyl]sulfanylbut-1-ene
PubChem CID126523735
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name3-methyl-2-[(Z)-prop-1-enyl]sulfanylbut-1-ene
SMILESC=C(S/C=C\C)C(C)C
InChIInChI=1S/C8H14S/c1-5-6-9-8(4)7(2)3/h5-7H,4H2,1-3H3/b6-5-
InChIKeyYVTADPZDQPELIJ-WAYWQWQTSA-N
XLogP3.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(Z)-1-(1-methylsulfanylethenylsulfanyl)prop-1-ene
CID 126522116
N-methyl-1-[(Z)-prop-1-enyl]sulfanylethenamine
CID 135159786
2-[(Z)-but-2-en-2-yl]sulfanyl-3-methylbut-1-ene
CID 155737131
ethane;(Z)-N-(3-methylbut-1-en-2-ylsulfanyl)ethanimine
CID 171660873
CID 174026996
CID 174026996
N,2-dimethyl-N-[1-[(Z)-prop-1-enyl]sulfanylethenyl]propan-2-amine
CID 167146321
(Z)-4,4-dimethyl-3-[(Z)-prop-1-enyl]sulfanylpent-2-ene
CID 170213109
(3E,5Z)-3-propan-2-yl-2,4-bis(trifluoromethyl)hepta-1,3,5-triene
CID 162429980
4-(benzimidazol-1-yl)-N-[3-[(Z)-prop-1-enyl]sulfanylbut-3-en-2-yl]pyrimidin-2-amine;molecular hydrogen
CID 142035716
(2E,5Z)-8-methyl-4,7-dimethylidenenona-2,5-diene;hydroiodide
CID 143788216
(Z)-2-methyl-N-(3-methylbut-1-en-2-yl)hex-4-en-3-imine
CID 130348007
2-methylbutane;2-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-1,3-thiazole-4-carboxamide
CID 143597264

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(Z)-prop-1-enyl]sulfanylbut-1-ene?
The IUPAC name of 3-methyl-2-[(Z)-prop-1-enyl]sulfanylbut-1-ene (CID 126523735) is 3-methyl-2-[(Z)-prop-1-enyl]sulfanylbut-1-ene.
What is the SMILES notation for 3-methyl-2-[(Z)-prop-1-enyl]sulfanylbut-1-ene?
The canonical SMILES for 3-methyl-2-[(Z)-prop-1-enyl]sulfanylbut-1-ene is C=C(S/C=C\C)C(C)C.
What is the InChIKey of 3-methyl-2-[(Z)-prop-1-enyl]sulfanylbut-1-ene?
The InChIKey is YVTADPZDQPELIJ-WAYWQWQTSA-N. The full InChI is InChI=1S/C8H14S/c1-5-6-9-8(4)7(2)3/h5-7H,4H2,1-3H3/b6-5-.
What are the key properties of 3-methyl-2-[(Z)-prop-1-enyl]sulfanylbut-1-ene?
3-methyl-2-[(Z)-prop-1-enyl]sulfanylbut-1-ene has a molecular weight of 142.27 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(Z)-prop-1-enyl]sulfanylbut-1-ene is sourced from PubChem (CID 126523735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).