(Z)-2-amino-1-phenylethenethiol

C8H9NS — CID 89189734

IUPAC(Z)-2-amino-1-phenylethenethiol
SMILESN/C=C(\S)c1ccccc1
InChIInChI=1S/C8H9NS/c9-6-8(10)7-4-2-1-3-5-7/h1-6,10H,9H2/b8-6-
InChIKeyIYHVBGWYHNXSIS-VURMDHGXSA-N
MW151.23 g/mol
LogP1.87
Rot. Bonds1

About (Z)-2-amino-1-phenylethenethiol

(Z)-2-amino-1-phenylethenethiol (PubChem CID 89189734) has the molecular formula C8H9NS and a molecular weight of 151.23 g/mol. Its IUPAC name is (Z)-2-amino-1-phenylethenethiol.

Molecular Properties

Compound Name(Z)-2-amino-1-phenylethenethiol
PubChem CID89189734
Molecular FormulaC8H9NS
Molecular Weight151.23 g/mol
Exact Mass151.05
IUPAC Name(Z)-2-amino-1-phenylethenethiol
SMILESN/C=C(\S)c1ccccc1
InChIInChI=1S/C8H9NS/c9-6-8(10)7-4-2-1-3-5-7/h1-6,10H,9H2/b8-6-
InChIKeyIYHVBGWYHNXSIS-VURMDHGXSA-N
XLogP1.87
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 11193677
(Z)-2-phenylbut-1-en-1-amine
CID 142213019
(1Z)-3-phenylbuta-1,3-dien-1-amine
CID 118909189
(2Z,4Z)-3-amino-5-phenyl-5-sulfanylpenta-2,4-dienoic acid;ethane
CID 143017894
benzoic acid;formamide
CID 23295678
(Z)-3-amino-2-benzoylprop-2-enenitrile
CID 163298750
S-phenyl (Z)-3-phenyl-3-sulfanylprop-2-enethioate
CID 87476824
(benzhydrylidene-λ4-sulfanylidene)methanamine
CID 140620164
CID 87087528
CID 87087528
benzenecarbodithioic acid;methane
CID 174693239
benzenecarbodithioic acid;rhenium
CID 174694582
2-(2-chlorophenyl)-2-phenylethenamine
CID 174393832

Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-1-phenylethenethiol?
The IUPAC name of (Z)-2-amino-1-phenylethenethiol (CID 89189734) is (Z)-2-amino-1-phenylethenethiol.
What is the SMILES notation for (Z)-2-amino-1-phenylethenethiol?
The canonical SMILES for (Z)-2-amino-1-phenylethenethiol is N/C=C(\S)c1ccccc1.
What is the InChIKey of (Z)-2-amino-1-phenylethenethiol?
The InChIKey is IYHVBGWYHNXSIS-VURMDHGXSA-N. The full InChI is InChI=1S/C8H9NS/c9-6-8(10)7-4-2-1-3-5-7/h1-6,10H,9H2/b8-6-.
What are the key properties of (Z)-2-amino-1-phenylethenethiol?
(Z)-2-amino-1-phenylethenethiol has a molecular weight of 151.23 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-1-phenylethenethiol is sourced from PubChem (CID 89189734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).