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

C10H16N2S — CID 89425991

IUPAC(Z)-2-amino-2-[4-(ethylamino)cyclohexa-2,4-dien-1-yl]ethenethiol
SMILESCCNC1=CCC(/C(N)=C/S)C=C1
InChIInChI=1S/C10H16N2S/c1-2-12-9-5-3-8(4-6-9)10(11)7-13/h3,5-8,12-13H,2,4,11H2,1H3/b10-7-
InChIKeyFOZHNBBGQQQTSV-YFHOEESVSA-N
MW196.32 g/mol
LogP1.79
Rot. Bonds3

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

(Z)-2-amino-2-[4-(ethylamino)cyclohexa-2,4-dien-1-yl]ethenethiol (PubChem CID 89425991) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is (Z)-2-amino-2-[4-(ethylamino)cyclohexa-2,4-dien-1-yl]ethenethiol.

Molecular Properties

Compound Name(Z)-2-amino-2-[4-(ethylamino)cyclohexa-2,4-dien-1-yl]ethenethiol
PubChem CID89425991
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name(Z)-2-amino-2-[4-(ethylamino)cyclohexa-2,4-dien-1-yl]ethenethiol
SMILESCCNC1=CCC(/C(N)=C/S)C=C1
InChIInChI=1S/C10H16N2S/c1-2-12-9-5-3-8(4-6-9)10(11)7-13/h3,5-8,12-13H,2,4,11H2,1H3/b10-7-
InChIKeyFOZHNBBGQQQTSV-YFHOEESVSA-N
XLogP1.79
TPSA38.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 51.79
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]ethenethiol?
The IUPAC name of (Z)-2-amino-2-[4-(ethylamino)cyclohexa-2,4-dien-1-yl]ethenethiol (CID 89425991) is (Z)-2-amino-2-[4-(ethylamino)cyclohexa-2,4-dien-1-yl]ethenethiol.
What is the SMILES notation for (Z)-2-amino-2-[4-(ethylamino)cyclohexa-2,4-dien-1-yl]ethenethiol?
The canonical SMILES for (Z)-2-amino-2-[4-(ethylamino)cyclohexa-2,4-dien-1-yl]ethenethiol is CCNC1=CCC(/C(N)=C/S)C=C1.
What is the InChIKey of (Z)-2-amino-2-[4-(ethylamino)cyclohexa-2,4-dien-1-yl]ethenethiol?
The InChIKey is FOZHNBBGQQQTSV-YFHOEESVSA-N. The full InChI is InChI=1S/C10H16N2S/c1-2-12-9-5-3-8(4-6-9)10(11)7-13/h3,5-8,12-13H,2,4,11H2,1H3/b10-7-.
What are the key properties of (Z)-2-amino-2-[4-(ethylamino)cyclohexa-2,4-dien-1-yl]ethenethiol?
(Z)-2-amino-2-[4-(ethylamino)cyclohexa-2,4-dien-1-yl]ethenethiol has a molecular weight of 196.32 g/mol, XLogP of 1.79, 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]ethenethiol is sourced from PubChem (CID 89425991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).