(Z)-2-amino-2-[4-(ethylamino)cyclohexa-2,4-dien-1-yl]-1-fluoroethenethiol

C10H15FN2S — CID 89426011

IUPAC(Z)-2-amino-2-[4-(ethylamino)cyclohexa-2,4-dien-1-yl]-1-fluoroethenethiol
SMILESCCNC1=CCC(/C(N)=C(\F)S)C=C1
InChIInChI=1S/C10H15FN2S/c1-2-13-8-5-3-7(4-6-8)9(12)10(11)14/h3,5-7,13-14H,2,4,12H2,1H3/b10-9-
InChIKeyRARXAIYRWDWHEK-KTKRTIGZSA-N
MW214.31 g/mol
LogP2.08
Rot. Bonds3

About (Z)-2-amino-2-[4-(ethylamino)cyclohexa-2,4-dien-1-yl]-1-fluoroethenethiol

(Z)-2-amino-2-[4-(ethylamino)cyclohexa-2,4-dien-1-yl]-1-fluoroethenethiol (PubChem CID 89426011) has the molecular formula C10H15FN2S and a molecular weight of 214.31 g/mol. Its IUPAC name is (Z)-2-amino-2-[4-(ethylamino)cyclohexa-2,4-dien-1-yl]-1-fluoroethenethiol.

Molecular Properties

Compound Name(Z)-2-amino-2-[4-(ethylamino)cyclohexa-2,4-dien-1-yl]-1-fluoroethenethiol
PubChem CID89426011
Molecular FormulaC10H15FN2S
Molecular Weight214.31 g/mol
Exact Mass214.09
IUPAC Name(Z)-2-amino-2-[4-(ethylamino)cyclohexa-2,4-dien-1-yl]-1-fluoroethenethiol
SMILESCCNC1=CCC(/C(N)=C(\F)S)C=C1
InChIInChI=1S/C10H15FN2S/c1-2-13-8-5-3-7(4-6-8)9(12)10(11)14/h3,5-7,13-14H,2,4,12H2,1H3/b10-9-
InChIKeyRARXAIYRWDWHEK-KTKRTIGZSA-N
XLogP2.08
TPSA38.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(ethylamino)cyclohexa-2,4-dien-1-yl]-1-fluoroethenethiol?
The IUPAC name of (Z)-2-amino-2-[4-(ethylamino)cyclohexa-2,4-dien-1-yl]-1-fluoroethenethiol (CID 89426011) is (Z)-2-amino-2-[4-(ethylamino)cyclohexa-2,4-dien-1-yl]-1-fluoroethenethiol.
What is the SMILES notation for (Z)-2-amino-2-[4-(ethylamino)cyclohexa-2,4-dien-1-yl]-1-fluoroethenethiol?
The canonical SMILES for (Z)-2-amino-2-[4-(ethylamino)cyclohexa-2,4-dien-1-yl]-1-fluoroethenethiol is CCNC1=CCC(/C(N)=C(\F)S)C=C1.
What is the InChIKey of (Z)-2-amino-2-[4-(ethylamino)cyclohexa-2,4-dien-1-yl]-1-fluoroethenethiol?
The InChIKey is RARXAIYRWDWHEK-KTKRTIGZSA-N. The full InChI is InChI=1S/C10H15FN2S/c1-2-13-8-5-3-7(4-6-8)9(12)10(11)14/h3,5-7,13-14H,2,4,12H2,1H3/b10-9-.
What are the key properties of (Z)-2-amino-2-[4-(ethylamino)cyclohexa-2,4-dien-1-yl]-1-fluoroethenethiol?
(Z)-2-amino-2-[4-(ethylamino)cyclohexa-2,4-dien-1-yl]-1-fluoroethenethiol has a molecular weight of 214.31 g/mol, XLogP of 2.08, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-2-[4-(ethylamino)cyclohexa-2,4-dien-1-yl]-1-fluoroethenethiol is sourced from PubChem (CID 89426011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).