(Z)-2-amino-2-(5-chloro-2-fluorophenyl)ethenethiol

C8H7ClFNS — CID 89400173

IUPAC(Z)-2-amino-2-(5-chloro-2-fluorophenyl)ethenethiol
SMILESN/C(=C\S)c1cc(Cl)ccc1F
InChIInChI=1S/C8H7ClFNS/c9-5-1-2-7(10)6(3-5)8(11)4-12/h1-4,12H,11H2/b8-4-
InChIKeyNNXYFQCOXWSXCB-YWEYNIOJSA-N
MW203.67 g/mol
LogP2.67
Rot. Bonds1

About (Z)-2-amino-2-(5-chloro-2-fluorophenyl)ethenethiol

(Z)-2-amino-2-(5-chloro-2-fluorophenyl)ethenethiol (PubChem CID 89400173) has the molecular formula C8H7ClFNS and a molecular weight of 203.67 g/mol. Its IUPAC name is (Z)-2-amino-2-(5-chloro-2-fluorophenyl)ethenethiol.

Molecular Properties

Compound Name(Z)-2-amino-2-(5-chloro-2-fluorophenyl)ethenethiol
PubChem CID89400173
Molecular FormulaC8H7ClFNS
Molecular Weight203.67 g/mol
Exact Mass203.00
IUPAC Name(Z)-2-amino-2-(5-chloro-2-fluorophenyl)ethenethiol
SMILESN/C(=C\S)c1cc(Cl)ccc1F
InChIInChI=1S/C8H7ClFNS/c9-5-1-2-7(10)6(3-5)8(11)4-12/h1-4,12H,11H2/b8-4-
InChIKeyNNXYFQCOXWSXCB-YWEYNIOJSA-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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Related Compounds

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5-Chloro-2-fluorobenzene-1-carbothioamide
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1-(3-chloro-4-fluorophenyl)-N-methoxyethenamine
CID 57049882
(Z)-2-(3-chloro-2-fluorophenyl)-1-(4-fluorophenyl)ethenamine
CID 68266409
(Z)-2-(3-chloro-2-fluorophenyl)-1-(4-chlorophenyl)ethenamine
CID 68266419
(Z)-1-(4-chloro-2-fluorophenyl)-2-(3-chlorophenyl)ethenamine
CID 68266423
(Z)-1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-2-fluorophenyl)ethenamine
CID 70957027
(Z)-2-(3-chloro-5-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethenamine
CID 70957053
(Z)-1-(4-chloro-2,6-difluorophenyl)-2-(3-chloro-2-fluorophenyl)ethenamine
CID 70957066
(Z)-2-(3-chloro-4-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethenamine
CID 70957072
(Z)-1-(4-chloro-2-fluorophenyl)-2-(5-chloro-2-fluorophenyl)ethenamine
CID 70957083

Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-2-(5-chloro-2-fluorophenyl)ethenethiol?
The IUPAC name of (Z)-2-amino-2-(5-chloro-2-fluorophenyl)ethenethiol (CID 89400173) is (Z)-2-amino-2-(5-chloro-2-fluorophenyl)ethenethiol.
What is the SMILES notation for (Z)-2-amino-2-(5-chloro-2-fluorophenyl)ethenethiol?
The canonical SMILES for (Z)-2-amino-2-(5-chloro-2-fluorophenyl)ethenethiol is N/C(=C\S)c1cc(Cl)ccc1F.
What is the InChIKey of (Z)-2-amino-2-(5-chloro-2-fluorophenyl)ethenethiol?
The InChIKey is NNXYFQCOXWSXCB-YWEYNIOJSA-N. The full InChI is InChI=1S/C8H7ClFNS/c9-5-1-2-7(10)6(3-5)8(11)4-12/h1-4,12H,11H2/b8-4-.
What are the key properties of (Z)-2-amino-2-(5-chloro-2-fluorophenyl)ethenethiol?
(Z)-2-amino-2-(5-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-(5-chloro-2-fluorophenyl)ethenethiol is sourced from PubChem (CID 89400173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).