(Z)-4-fluoro-4-methylpent-2-ene-3-thiol

C6H11FS — CID 145076277

IUPAC(Z)-4-fluoro-4-methylpent-2-ene-3-thiol
SMILESC/C=C(\S)C(C)(C)F
InChIInChI=1S/C6H11FS/c1-4-5(8)6(2,3)7/h4,8H,1-3H3/b5-4-
InChIKeySDLNFIXVSTWARN-PLNGDYQASA-N
MW134.22 g/mol
LogP2.57
Rot. Bonds1

About (Z)-4-fluoro-4-methylpent-2-ene-3-thiol

(Z)-4-fluoro-4-methylpent-2-ene-3-thiol (PubChem CID 145076277) has the molecular formula C6H11FS and a molecular weight of 134.22 g/mol. Its IUPAC name is (Z)-4-fluoro-4-methylpent-2-ene-3-thiol.

Molecular Properties

Compound Name(Z)-4-fluoro-4-methylpent-2-ene-3-thiol
PubChem CID145076277
Molecular FormulaC6H11FS
Molecular Weight134.22 g/mol
Exact Mass134.06
IUPAC Name(Z)-4-fluoro-4-methylpent-2-ene-3-thiol
SMILESC/C=C(\S)C(C)(C)F
InChIInChI=1S/C6H11FS/c1-4-5(8)6(2,3)7/h4,8H,1-3H3/b5-4-
InChIKeySDLNFIXVSTWARN-PLNGDYQASA-N
XLogP2.57
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-fluoro-4-methylpent-2-ene-3-thiol?
The IUPAC name of (Z)-4-fluoro-4-methylpent-2-ene-3-thiol (CID 145076277) is (Z)-4-fluoro-4-methylpent-2-ene-3-thiol.
What is the SMILES notation for (Z)-4-fluoro-4-methylpent-2-ene-3-thiol?
The canonical SMILES for (Z)-4-fluoro-4-methylpent-2-ene-3-thiol is C/C=C(\S)C(C)(C)F.
What is the InChIKey of (Z)-4-fluoro-4-methylpent-2-ene-3-thiol?
The InChIKey is SDLNFIXVSTWARN-PLNGDYQASA-N. The full InChI is InChI=1S/C6H11FS/c1-4-5(8)6(2,3)7/h4,8H,1-3H3/b5-4-.
What are the key properties of (Z)-4-fluoro-4-methylpent-2-ene-3-thiol?
(Z)-4-fluoro-4-methylpent-2-ene-3-thiol has a molecular weight of 134.22 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-fluoro-4-methylpent-2-ene-3-thiol is sourced from PubChem (CID 145076277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).