(Z)-2-amino-2-(3-chloro-2-fluorophenyl)ethenethiol

C8H7ClFNS — CID 88904475

IUPAC(Z)-2-amino-2-(3-chloro-2-fluorophenyl)ethenethiol
SMILESN/C(=C\S)c1cccc(Cl)c1F
InChIInChI=1S/C8H7ClFNS/c9-6-3-1-2-5(8(6)10)7(11)4-12/h1-4,12H,11H2/b7-4-
InChIKeyFGHYLCCGYDKSHN-DAXSKMNVSA-N
MW203.67 g/mol
LogP2.67
Rot. Bonds1

About (Z)-2-amino-2-(3-chloro-2-fluorophenyl)ethenethiol

(Z)-2-amino-2-(3-chloro-2-fluorophenyl)ethenethiol (PubChem CID 88904475) has the molecular formula C8H7ClFNS and a molecular weight of 203.67 g/mol. Its IUPAC name is (Z)-2-amino-2-(3-chloro-2-fluorophenyl)ethenethiol.

Molecular Properties

Compound Name(Z)-2-amino-2-(3-chloro-2-fluorophenyl)ethenethiol
PubChem CID88904475
Molecular FormulaC8H7ClFNS
Molecular Weight203.67 g/mol
Exact Mass203.00
IUPAC Name(Z)-2-amino-2-(3-chloro-2-fluorophenyl)ethenethiol
SMILESN/C(=C\S)c1cccc(Cl)c1F
InChIInChI=1S/C8H7ClFNS/c9-6-3-1-2-5(8(6)10)7(11)4-12/h1-4,12H,11H2/b7-4-
InChIKeyFGHYLCCGYDKSHN-DAXSKMNVSA-N
XLogP2.67
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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)-2-amino-2-(3-chloro-2-fluorophenyl)ethenethiol?
The IUPAC name of (Z)-2-amino-2-(3-chloro-2-fluorophenyl)ethenethiol (CID 88904475) is (Z)-2-amino-2-(3-chloro-2-fluorophenyl)ethenethiol.
What is the SMILES notation for (Z)-2-amino-2-(3-chloro-2-fluorophenyl)ethenethiol?
The canonical SMILES for (Z)-2-amino-2-(3-chloro-2-fluorophenyl)ethenethiol is N/C(=C\S)c1cccc(Cl)c1F.
What is the InChIKey of (Z)-2-amino-2-(3-chloro-2-fluorophenyl)ethenethiol?
The InChIKey is FGHYLCCGYDKSHN-DAXSKMNVSA-N. The full InChI is InChI=1S/C8H7ClFNS/c9-6-3-1-2-5(8(6)10)7(11)4-12/h1-4,12H,11H2/b7-4-.
What are the key properties of (Z)-2-amino-2-(3-chloro-2-fluorophenyl)ethenethiol?
(Z)-2-amino-2-(3-chloro-2-fluorophenyl)ethenethiol has a molecular weight of 203.67 g/mol, XLogP of 2.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-2-(3-chloro-2-fluorophenyl)ethenethiol is sourced from PubChem (CID 88904475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).