(Z)-2-amino-2-(5-ethoxycyclohexa-2,4-dien-1-yl)ethenethiol

C10H15NOS — CID 89425993

IUPAC(Z)-2-amino-2-(5-ethoxycyclohexa-2,4-dien-1-yl)ethenethiol
SMILESCCOC1=CC=CC(/C(N)=C/S)C1
InChIInChI=1S/C10H15NOS/c1-2-12-9-5-3-4-8(6-9)10(11)7-13/h3-5,7-8,13H,2,6,11H2,1H3/b10-7-
InChIKeyLSKJGCJCYYUIDJ-YFHOEESVSA-N
MW197.30 g/mol
LogP2.21
Rot. Bonds3

About (Z)-2-amino-2-(5-ethoxycyclohexa-2,4-dien-1-yl)ethenethiol

(Z)-2-amino-2-(5-ethoxycyclohexa-2,4-dien-1-yl)ethenethiol (PubChem CID 89425993) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is (Z)-2-amino-2-(5-ethoxycyclohexa-2,4-dien-1-yl)ethenethiol.

Molecular Properties

Compound Name(Z)-2-amino-2-(5-ethoxycyclohexa-2,4-dien-1-yl)ethenethiol
PubChem CID89425993
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name(Z)-2-amino-2-(5-ethoxycyclohexa-2,4-dien-1-yl)ethenethiol
SMILESCCOC1=CC=CC(/C(N)=C/S)C1
InChIInChI=1S/C10H15NOS/c1-2-12-9-5-3-4-8(6-9)10(11)7-13/h3-5,7-8,13H,2,6,11H2,1H3/b10-7-
InChIKeyLSKJGCJCYYUIDJ-YFHOEESVSA-N
XLogP2.21
TPSA35.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.21
H-Bond Donors ≤ 52
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-(5-ethoxycyclohexa-2,4-dien-1-yl)ethenethiol?
The IUPAC name of (Z)-2-amino-2-(5-ethoxycyclohexa-2,4-dien-1-yl)ethenethiol (CID 89425993) is (Z)-2-amino-2-(5-ethoxycyclohexa-2,4-dien-1-yl)ethenethiol.
What is the SMILES notation for (Z)-2-amino-2-(5-ethoxycyclohexa-2,4-dien-1-yl)ethenethiol?
The canonical SMILES for (Z)-2-amino-2-(5-ethoxycyclohexa-2,4-dien-1-yl)ethenethiol is CCOC1=CC=CC(/C(N)=C/S)C1.
What is the InChIKey of (Z)-2-amino-2-(5-ethoxycyclohexa-2,4-dien-1-yl)ethenethiol?
The InChIKey is LSKJGCJCYYUIDJ-YFHOEESVSA-N. The full InChI is InChI=1S/C10H15NOS/c1-2-12-9-5-3-4-8(6-9)10(11)7-13/h3-5,7-8,13H,2,6,11H2,1H3/b10-7-.
What are the key properties of (Z)-2-amino-2-(5-ethoxycyclohexa-2,4-dien-1-yl)ethenethiol?
(Z)-2-amino-2-(5-ethoxycyclohexa-2,4-dien-1-yl)ethenethiol has a molecular weight of 197.30 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-2-(5-ethoxycyclohexa-2,4-dien-1-yl)ethenethiol is sourced from PubChem (CID 89425993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).