(E)-2-ethylsulfanyl-3,3,3-trifluoro-1-methylsulfanylprop-1-ene

C6H9F3S2 — CID 100998495

IUPAC(E)-2-ethylsulfanyl-3,3,3-trifluoro-1-methylsulfanylprop-1-ene
SMILESCCS/C(=C/SC)C(F)(F)F
InChIInChI=1S/C6H9F3S2/c1-3-11-5(4-10-2)6(7,8)9/h4H,3H2,1-2H3/b5-4+
InChIKeyARBZMNPRMPBKEU-SNAWJCMRSA-N
MW202.27 g/mol
LogP3.51
Rot. Bonds3

About (E)-2-ethylsulfanyl-3,3,3-trifluoro-1-methylsulfanylprop-1-ene

(E)-2-ethylsulfanyl-3,3,3-trifluoro-1-methylsulfanylprop-1-ene (PubChem CID 100998495) has the molecular formula C6H9F3S2 and a molecular weight of 202.27 g/mol. Its IUPAC name is (E)-2-ethylsulfanyl-3,3,3-trifluoro-1-methylsulfanylprop-1-ene.

Molecular Properties

Compound Name(E)-2-ethylsulfanyl-3,3,3-trifluoro-1-methylsulfanylprop-1-ene
PubChem CID100998495
Molecular FormulaC6H9F3S2
Molecular Weight202.27 g/mol
Exact Mass202.01
IUPAC Name(E)-2-ethylsulfanyl-3,3,3-trifluoro-1-methylsulfanylprop-1-ene
SMILESCCS/C(=C/SC)C(F)(F)F
InChIInChI=1S/C6H9F3S2/c1-3-11-5(4-10-2)6(7,8)9/h4H,3H2,1-2H3/b5-4+
InChIKeyARBZMNPRMPBKEU-SNAWJCMRSA-N
XLogP3.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Propene, 1,1-bis(ethylthio)-2,3,3,3-tetrafluoro-
CID 10399121
3-Ethylsulfanyl-1,1-difluoroprop-1-ene
CID 59155195
1,1,1-Trifluoro-4-prop-1-en-2-ylsulfanylbutane
CID 88875385
1,1-Difluoro-3-propylsulfanylprop-1-ene
CID 91011169
1,1,1-Trifluoro-2-propan-2-ylsulfanylbut-2-ene
CID 123265528
2-Ethylsulfanyl-1,1,1-trifluorobut-2-ene
CID 123528466
1,1,1-Trifluoro-2-prop-1-en-2-ylsulfanylpropane
CID 138567434
(Z)-2-ethylsulfanyl-1,1,1-trifluorobut-2-ene
CID 145166543
5-(Trifluoromethyl)-2,3-dihydro-1,4-dithiine
CID 15720767
5-(Difluoromethyl)-2,3-dihydro-1,4-dithiine
CID 15720768
3,3-Bis(ethylsulfanyl)-1,1-difluoroprop-1-ene
CID 101166122
1,1-Bis(ethylsulfanyl)-3,3-difluoropropa-1,2-diene
CID 102189624

Frequently Asked Questions

What is the IUPAC name of (E)-2-ethylsulfanyl-3,3,3-trifluoro-1-methylsulfanylprop-1-ene?
The IUPAC name of (E)-2-ethylsulfanyl-3,3,3-trifluoro-1-methylsulfanylprop-1-ene (CID 100998495) is (E)-2-ethylsulfanyl-3,3,3-trifluoro-1-methylsulfanylprop-1-ene.
What is the SMILES notation for (E)-2-ethylsulfanyl-3,3,3-trifluoro-1-methylsulfanylprop-1-ene?
The canonical SMILES for (E)-2-ethylsulfanyl-3,3,3-trifluoro-1-methylsulfanylprop-1-ene is CCS/C(=C/SC)C(F)(F)F.
What is the InChIKey of (E)-2-ethylsulfanyl-3,3,3-trifluoro-1-methylsulfanylprop-1-ene?
The InChIKey is ARBZMNPRMPBKEU-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H9F3S2/c1-3-11-5(4-10-2)6(7,8)9/h4H,3H2,1-2H3/b5-4+.
What are the key properties of (E)-2-ethylsulfanyl-3,3,3-trifluoro-1-methylsulfanylprop-1-ene?
(E)-2-ethylsulfanyl-3,3,3-trifluoro-1-methylsulfanylprop-1-ene has a molecular weight of 202.27 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethylsulfanyl-3,3,3-trifluoro-1-methylsulfanylprop-1-ene is sourced from PubChem (CID 100998495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).