2-[(Z)-prop-1-enyl]sulfanyl-5-(trifluoromethyl)-1H-imidazole

C7H7F3N2S — CID 143714279

IUPAC2-[(Z)-prop-1-enyl]sulfanyl-5-(trifluoromethyl)-1H-imidazole
SMILESC/C=C\Sc1ncc(C(F)(F)F)[nH]1
InChIInChI=1S/C7H7F3N2S/c1-2-3-13-6-11-4-5(12-6)7(8,9)10/h2-4H,1H3,(H,11,12)/b3-2-
InChIKeyGCZFDHXTXPFTJB-IHWYPQMZSA-N
MW208.21 g/mol
LogP3.05
Rot. Bonds2

About 2-[(Z)-prop-1-enyl]sulfanyl-5-(trifluoromethyl)-1H-imidazole

2-[(Z)-prop-1-enyl]sulfanyl-5-(trifluoromethyl)-1H-imidazole (PubChem CID 143714279) has the molecular formula C7H7F3N2S and a molecular weight of 208.21 g/mol. Its IUPAC name is 2-[(Z)-prop-1-enyl]sulfanyl-5-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name2-[(Z)-prop-1-enyl]sulfanyl-5-(trifluoromethyl)-1H-imidazole
PubChem CID143714279
Molecular FormulaC7H7F3N2S
Molecular Weight208.21 g/mol
Exact Mass208.03
IUPAC Name2-[(Z)-prop-1-enyl]sulfanyl-5-(trifluoromethyl)-1H-imidazole
SMILESC/C=C\Sc1ncc(C(F)(F)F)[nH]1
InChIInChI=1S/C7H7F3N2S/c1-2-3-13-6-11-4-5(12-6)7(8,9)10/h2-4H,1H3,(H,11,12)/b3-2-
InChIKeyGCZFDHXTXPFTJB-IHWYPQMZSA-N
XLogP3.05
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-prop-1-enyl]sulfanyl-5-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 2-[(Z)-prop-1-enyl]sulfanyl-5-(trifluoromethyl)-1H-imidazole (CID 143714279) is 2-[(Z)-prop-1-enyl]sulfanyl-5-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 2-[(Z)-prop-1-enyl]sulfanyl-5-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 2-[(Z)-prop-1-enyl]sulfanyl-5-(trifluoromethyl)-1H-imidazole is C/C=C\Sc1ncc(C(F)(F)F)[nH]1.
What is the InChIKey of 2-[(Z)-prop-1-enyl]sulfanyl-5-(trifluoromethyl)-1H-imidazole?
The InChIKey is GCZFDHXTXPFTJB-IHWYPQMZSA-N. The full InChI is InChI=1S/C7H7F3N2S/c1-2-3-13-6-11-4-5(12-6)7(8,9)10/h2-4H,1H3,(H,11,12)/b3-2-.
What are the key properties of 2-[(Z)-prop-1-enyl]sulfanyl-5-(trifluoromethyl)-1H-imidazole?
2-[(Z)-prop-1-enyl]sulfanyl-5-(trifluoromethyl)-1H-imidazole has a molecular weight of 208.21 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-prop-1-enyl]sulfanyl-5-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 143714279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).