(Z)-3-(methylamino)prop-2-enethioamide

C4H8N2S — CID 59970793

IUPAC(Z)-3-(methylamino)prop-2-enethioamide
SMILESCN/C=C\C(N)=S
InChIInChI=1S/C4H8N2S/c1-6-3-2-4(5)7/h2-3,6H,1H3,(H2,5,7)/b3-2-
InChIKeyUASQESREYXBGGU-IHWYPQMZSA-N
MW116.19 g/mol
LogP0.01
Rot. Bonds2

About (Z)-3-(methylamino)prop-2-enethioamide

(Z)-3-(methylamino)prop-2-enethioamide (PubChem CID 59970793) has the molecular formula C4H8N2S and a molecular weight of 116.19 g/mol. Its IUPAC name is (Z)-3-(methylamino)prop-2-enethioamide.

Molecular Properties

Compound Name(Z)-3-(methylamino)prop-2-enethioamide
PubChem CID59970793
Molecular FormulaC4H8N2S
Molecular Weight116.19 g/mol
Exact Mass116.04
IUPAC Name(Z)-3-(methylamino)prop-2-enethioamide
SMILESCN/C=C\C(N)=S
InChIInChI=1S/C4H8N2S/c1-6-3-2-4(5)7/h2-3,6H,1H3,(H2,5,7)/b3-2-
InChIKeyUASQESREYXBGGU-IHWYPQMZSA-N
XLogP0.01
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.19
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(methylamino)prop-2-enethioamide?
The IUPAC name of (Z)-3-(methylamino)prop-2-enethioamide (CID 59970793) is (Z)-3-(methylamino)prop-2-enethioamide.
What is the SMILES notation for (Z)-3-(methylamino)prop-2-enethioamide?
The canonical SMILES for (Z)-3-(methylamino)prop-2-enethioamide is CN/C=C\C(N)=S.
What is the InChIKey of (Z)-3-(methylamino)prop-2-enethioamide?
The InChIKey is UASQESREYXBGGU-IHWYPQMZSA-N. The full InChI is InChI=1S/C4H8N2S/c1-6-3-2-4(5)7/h2-3,6H,1H3,(H2,5,7)/b3-2-.
What are the key properties of (Z)-3-(methylamino)prop-2-enethioamide?
(Z)-3-(methylamino)prop-2-enethioamide has a molecular weight of 116.19 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(methylamino)prop-2-enethioamide is sourced from PubChem (CID 59970793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).