(Z)-2-amino-2-[4-(ethylamino)-3-fluorocyclohexa-1,3-dien-1-yl]ethenethiol

C10H15FN2S — CID 89425971

IUPAC(Z)-2-amino-2-[4-(ethylamino)-3-fluorocyclohexa-1,3-dien-1-yl]ethenethiol
SMILESCCNC1=C(F)C=C(/C(N)=C/S)CC1
InChIInChI=1S/C10H15FN2S/c1-2-13-10-4-3-7(5-8(10)11)9(12)6-14/h5-6,13-14H,2-4,12H2,1H3/b9-6-
InChIKeyRSLNWEJTFWMDGZ-TWGQIWQCSA-N
MW214.31 g/mol
LogP2.23
Rot. Bonds3

About (Z)-2-amino-2-[4-(ethylamino)-3-fluorocyclohexa-1,3-dien-1-yl]ethenethiol

(Z)-2-amino-2-[4-(ethylamino)-3-fluorocyclohexa-1,3-dien-1-yl]ethenethiol (PubChem CID 89425971) has the molecular formula C10H15FN2S and a molecular weight of 214.31 g/mol. Its IUPAC name is (Z)-2-amino-2-[4-(ethylamino)-3-fluorocyclohexa-1,3-dien-1-yl]ethenethiol.

Molecular Properties

Compound Name(Z)-2-amino-2-[4-(ethylamino)-3-fluorocyclohexa-1,3-dien-1-yl]ethenethiol
PubChem CID89425971
Molecular FormulaC10H15FN2S
Molecular Weight214.31 g/mol
Exact Mass214.09
IUPAC Name(Z)-2-amino-2-[4-(ethylamino)-3-fluorocyclohexa-1,3-dien-1-yl]ethenethiol
SMILESCCNC1=C(F)C=C(/C(N)=C/S)CC1
InChIInChI=1S/C10H15FN2S/c1-2-13-10-4-3-7(5-8(10)11)9(12)6-14/h5-6,13-14H,2-4,12H2,1H3/b9-6-
InChIKeyRSLNWEJTFWMDGZ-TWGQIWQCSA-N
XLogP2.23
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 ≤ 52.23
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)-3-fluorocyclohexa-1,3-dien-1-yl]ethenethiol?
The IUPAC name of (Z)-2-amino-2-[4-(ethylamino)-3-fluorocyclohexa-1,3-dien-1-yl]ethenethiol (CID 89425971) is (Z)-2-amino-2-[4-(ethylamino)-3-fluorocyclohexa-1,3-dien-1-yl]ethenethiol.
What is the SMILES notation for (Z)-2-amino-2-[4-(ethylamino)-3-fluorocyclohexa-1,3-dien-1-yl]ethenethiol?
The canonical SMILES for (Z)-2-amino-2-[4-(ethylamino)-3-fluorocyclohexa-1,3-dien-1-yl]ethenethiol is CCNC1=C(F)C=C(/C(N)=C/S)CC1.
What is the InChIKey of (Z)-2-amino-2-[4-(ethylamino)-3-fluorocyclohexa-1,3-dien-1-yl]ethenethiol?
The InChIKey is RSLNWEJTFWMDGZ-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H15FN2S/c1-2-13-10-4-3-7(5-8(10)11)9(12)6-14/h5-6,13-14H,2-4,12H2,1H3/b9-6-.
What are the key properties of (Z)-2-amino-2-[4-(ethylamino)-3-fluorocyclohexa-1,3-dien-1-yl]ethenethiol?
(Z)-2-amino-2-[4-(ethylamino)-3-fluorocyclohexa-1,3-dien-1-yl]ethenethiol has a molecular weight of 214.31 g/mol, XLogP of 2.23, 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)-3-fluorocyclohexa-1,3-dien-1-yl]ethenethiol is sourced from PubChem (CID 89425971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).