(Z)-2-(methylamino)-2-phenylethenethiol

C9H11NS — CID 88954703

IUPAC(Z)-2-(methylamino)-2-phenylethenethiol
SMILESCN/C(=C\S)c1ccccc1
InChIInChI=1S/C9H11NS/c1-10-9(7-11)8-5-3-2-4-6-8/h2-7,10-11H,1H3/b9-7-
InChIKeyXYGIIAXMABAIMX-CLFYSBASSA-N
MW165.26 g/mol
LogP2.13
Rot. Bonds2

About (Z)-2-(methylamino)-2-phenylethenethiol

(Z)-2-(methylamino)-2-phenylethenethiol (PubChem CID 88954703) has the molecular formula C9H11NS and a molecular weight of 165.26 g/mol. Its IUPAC name is (Z)-2-(methylamino)-2-phenylethenethiol.

Molecular Properties

Compound Name(Z)-2-(methylamino)-2-phenylethenethiol
PubChem CID88954703
Molecular FormulaC9H11NS
Molecular Weight165.26 g/mol
Exact Mass165.06
IUPAC Name(Z)-2-(methylamino)-2-phenylethenethiol
SMILESCN/C(=C\S)c1ccccc1
InChIInChI=1S/C9H11NS/c1-10-9(7-11)8-5-3-2-4-6-8/h2-7,10-11H,1H3/b9-7-
InChIKeyXYGIIAXMABAIMX-CLFYSBASSA-N
XLogP2.13
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 52.13
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

(Z)-3-(methylamino)-3-phenylprop-2-enoic acid
CID 69082862
(E)-2-isocyano-N-methyl-1-phenylethenamine
CID 10583060
(E)-1-(methylamino)-1-phenylpent-1-en-3-one
CID 121010171
(Z)-3-(methylamino)-N,3-diphenylprop-2-enamide
CID 25157764
ethyl 3-(methylamino)-3-phenylprop-2-enoate
CID 58005139
(E)-N-methyl-2-(4-methylphenyl)sulfonyl-1-phenylethenamine
CID 24972823
N-methylbenzamide
CID 11954
(Z)-N-methyl-2-[methyl-[methyl-[(Z)-2-(methylideneamino)prop-1-enyl]amino]amino]-1-phenylethenamine
CID 134484489
N-methyl-4,4-diphenylbut-3-enamide
CID 10824648
N-methylmethanamine;2-oxo-2-phenylacetaldehyde
CID 174528822
lithium;hydride;N-methylbenzamide
CID 173287348
N-methylbenzamide;molecular hydrogen
CID 142972595

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(methylamino)-2-phenylethenethiol?
The IUPAC name of (Z)-2-(methylamino)-2-phenylethenethiol (CID 88954703) is (Z)-2-(methylamino)-2-phenylethenethiol.
What is the SMILES notation for (Z)-2-(methylamino)-2-phenylethenethiol?
The canonical SMILES for (Z)-2-(methylamino)-2-phenylethenethiol is CN/C(=C\S)c1ccccc1.
What is the InChIKey of (Z)-2-(methylamino)-2-phenylethenethiol?
The InChIKey is XYGIIAXMABAIMX-CLFYSBASSA-N. The full InChI is InChI=1S/C9H11NS/c1-10-9(7-11)8-5-3-2-4-6-8/h2-7,10-11H,1H3/b9-7-.
What are the key properties of (Z)-2-(methylamino)-2-phenylethenethiol?
(Z)-2-(methylamino)-2-phenylethenethiol has a molecular weight of 165.26 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(methylamino)-2-phenylethenethiol is sourced from PubChem (CID 88954703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).