(Z)-2-amino-2-(3H-azepin-4-yl)ethenethiol

C8H10N2S — CID 143328868

IUPAC(Z)-2-amino-2-(3H-azepin-4-yl)ethenethiol
SMILESN/C(=C\S)C1=CC=CN=CC1
InChIInChI=1S/C8H10N2S/c9-8(6-11)7-2-1-4-10-5-3-7/h1-2,4-6,11H,3,9H2/b8-6-
InChIKeySGGUMNUHPLCZTE-VURMDHGXSA-N
MW166.25 g/mol
LogP1.63
Rot. Bonds1

About (Z)-2-amino-2-(3H-azepin-4-yl)ethenethiol

(Z)-2-amino-2-(3H-azepin-4-yl)ethenethiol (PubChem CID 143328868) has the molecular formula C8H10N2S and a molecular weight of 166.25 g/mol. Its IUPAC name is (Z)-2-amino-2-(3H-azepin-4-yl)ethenethiol.

Molecular Properties

Compound Name(Z)-2-amino-2-(3H-azepin-4-yl)ethenethiol
PubChem CID143328868
Molecular FormulaC8H10N2S
Molecular Weight166.25 g/mol
Exact Mass166.06
IUPAC Name(Z)-2-amino-2-(3H-azepin-4-yl)ethenethiol
SMILESN/C(=C\S)C1=CC=CN=CC1
InChIInChI=1S/C8H10N2S/c9-8(6-11)7-2-1-4-10-5-3-7/h1-2,4-6,11H,3,9H2/b8-6-
InChIKeySGGUMNUHPLCZTE-VURMDHGXSA-N
XLogP1.63
TPSA38.38 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-[(4-Amino-6-ethyl-2-methylazepin-3-ylidene)amino]ethanethiol
CID 123763763

Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-2-(3H-azepin-4-yl)ethenethiol?
The IUPAC name of (Z)-2-amino-2-(3H-azepin-4-yl)ethenethiol (CID 143328868) is (Z)-2-amino-2-(3H-azepin-4-yl)ethenethiol.
What is the SMILES notation for (Z)-2-amino-2-(3H-azepin-4-yl)ethenethiol?
The canonical SMILES for (Z)-2-amino-2-(3H-azepin-4-yl)ethenethiol is N/C(=C\S)C1=CC=CN=CC1.
What is the InChIKey of (Z)-2-amino-2-(3H-azepin-4-yl)ethenethiol?
The InChIKey is SGGUMNUHPLCZTE-VURMDHGXSA-N. The full InChI is InChI=1S/C8H10N2S/c9-8(6-11)7-2-1-4-10-5-3-7/h1-2,4-6,11H,3,9H2/b8-6-.
What are the key properties of (Z)-2-amino-2-(3H-azepin-4-yl)ethenethiol?
(Z)-2-amino-2-(3H-azepin-4-yl)ethenethiol has a molecular weight of 166.25 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-2-(3H-azepin-4-yl)ethenethiol is sourced from PubChem (CID 143328868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).