(Z)-2-amino-2-[4-chloro-3-(trifluoromethyl)phenyl]ethenethiol

C9H7ClF3NS — CID 88900352

IUPAC(Z)-2-amino-2-[4-chloro-3-(trifluoromethyl)phenyl]ethenethiol
SMILESN/C(=C\S)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C9H7ClF3NS/c10-7-2-1-5(8(14)4-15)3-6(7)9(11,12)13/h1-4,15H,14H2/b8-4-
InChIKeyYZLPGXXQQQXSSS-YWEYNIOJSA-N
MW253.68 g/mol
LogP3.55
Rot. Bonds1

About (Z)-2-amino-2-[4-chloro-3-(trifluoromethyl)phenyl]ethenethiol

(Z)-2-amino-2-[4-chloro-3-(trifluoromethyl)phenyl]ethenethiol (PubChem CID 88900352) has the molecular formula C9H7ClF3NS and a molecular weight of 253.68 g/mol. Its IUPAC name is (Z)-2-amino-2-[4-chloro-3-(trifluoromethyl)phenyl]ethenethiol.

Molecular Properties

Compound Name(Z)-2-amino-2-[4-chloro-3-(trifluoromethyl)phenyl]ethenethiol
PubChem CID88900352
Molecular FormulaC9H7ClF3NS
Molecular Weight253.68 g/mol
Exact Mass252.99
IUPAC Name(Z)-2-amino-2-[4-chloro-3-(trifluoromethyl)phenyl]ethenethiol
SMILESN/C(=C\S)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C9H7ClF3NS/c10-7-2-1-5(8(14)4-15)3-6(7)9(11,12)13/h1-4,15H,14H2/b8-4-
InChIKeyYZLPGXXQQQXSSS-YWEYNIOJSA-N
XLogP3.55
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.68
LogP ≤ 53.55
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-[4-chloro-3-(trifluoromethyl)phenyl]ethenethiol?
The IUPAC name of (Z)-2-amino-2-[4-chloro-3-(trifluoromethyl)phenyl]ethenethiol (CID 88900352) is (Z)-2-amino-2-[4-chloro-3-(trifluoromethyl)phenyl]ethenethiol.
What is the SMILES notation for (Z)-2-amino-2-[4-chloro-3-(trifluoromethyl)phenyl]ethenethiol?
The canonical SMILES for (Z)-2-amino-2-[4-chloro-3-(trifluoromethyl)phenyl]ethenethiol is N/C(=C\S)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of (Z)-2-amino-2-[4-chloro-3-(trifluoromethyl)phenyl]ethenethiol?
The InChIKey is YZLPGXXQQQXSSS-YWEYNIOJSA-N. The full InChI is InChI=1S/C9H7ClF3NS/c10-7-2-1-5(8(14)4-15)3-6(7)9(11,12)13/h1-4,15H,14H2/b8-4-.
What are the key properties of (Z)-2-amino-2-[4-chloro-3-(trifluoromethyl)phenyl]ethenethiol?
(Z)-2-amino-2-[4-chloro-3-(trifluoromethyl)phenyl]ethenethiol has a molecular weight of 253.68 g/mol, XLogP of 3.55, 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-[4-chloro-3-(trifluoromethyl)phenyl]ethenethiol is sourced from PubChem (CID 88900352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).