(Z)-4-amino-4-methanimidoyliminobut-2-enethioamide

C5H8N4S — CID 168898527

IUPAC(Z)-4-amino-4-methanimidoyliminobut-2-enethioamide
SMILES[H]/N=C/N=C(N)/C=C\C(N)=S
InChIInChI=1S/C5H8N4S/c6-3-9-4(7)1-2-5(8)10/h1-3H,(H2,8,10)(H3,6,7,9)/b2-1-
InChIKeyRURDCVNBIVWQEJ-UPHRSURJSA-N
MW156.21 g/mol
LogP-0.21
Rot. Bonds3

About (Z)-4-amino-4-methanimidoyliminobut-2-enethioamide

(Z)-4-amino-4-methanimidoyliminobut-2-enethioamide (PubChem CID 168898527) has the molecular formula C5H8N4S and a molecular weight of 156.21 g/mol. Its IUPAC name is (Z)-4-amino-4-methanimidoyliminobut-2-enethioamide.

Molecular Properties

Compound Name(Z)-4-amino-4-methanimidoyliminobut-2-enethioamide
PubChem CID168898527
Molecular FormulaC5H8N4S
Molecular Weight156.21 g/mol
Exact Mass156.05
IUPAC Name(Z)-4-amino-4-methanimidoyliminobut-2-enethioamide
SMILES[H]/N=C/N=C(N)/C=C\C(N)=S
InChIInChI=1S/C5H8N4S/c6-3-9-4(7)1-2-5(8)10/h1-3H,(H2,8,10)(H3,6,7,9)/b2-1-
InChIKeyRURDCVNBIVWQEJ-UPHRSURJSA-N
XLogP-0.21
TPSA88.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N'-methanimidoylbut-3-enimidamide
CID 165138966
N'-methanimidoylhept-6-enimidamide
CID 123424126
(N'-methanimidoylcarbamimidoyl)sulfanyl N-methanimidoylethanimidothioate
CID 123419099
N-[(1E,4Z)-1-amino-2-methylhexa-1,4-dien-3-ylidene]methanimidamide
CID 90452898
N-[bis(methylsulfanyl)methylidene]methanimidamide
CID 156561995
N'-methanimidoyl-4-methylpiperazine-1-carboximidamide
CID 90056098
methyl N-methanimidoylethanimidothioate
CID 129258091
N'-methanimidoyl-2-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethanimidamide
CID 144518524
N-methanimidoylpropanimidoyl chloride
CID 146526753
2-diazenylethanethioamide
CID 21113575
N-[(1E)-1-amino-2-methylpenta-1,4-dien-3-ylidene]methanimidamide
CID 90453946
N'-methanimidoyl-3,4-dimethylfuran-2-carboximidamide
CID 90392538

Frequently Asked Questions

What is the IUPAC name of (Z)-4-amino-4-methanimidoyliminobut-2-enethioamide?
The IUPAC name of (Z)-4-amino-4-methanimidoyliminobut-2-enethioamide (CID 168898527) is (Z)-4-amino-4-methanimidoyliminobut-2-enethioamide.
What is the SMILES notation for (Z)-4-amino-4-methanimidoyliminobut-2-enethioamide?
The canonical SMILES for (Z)-4-amino-4-methanimidoyliminobut-2-enethioamide is [H]/N=C/N=C(N)/C=C\C(N)=S.
What is the InChIKey of (Z)-4-amino-4-methanimidoyliminobut-2-enethioamide?
The InChIKey is RURDCVNBIVWQEJ-UPHRSURJSA-N. The full InChI is InChI=1S/C5H8N4S/c6-3-9-4(7)1-2-5(8)10/h1-3H,(H2,8,10)(H3,6,7,9)/b2-1-.
What are the key properties of (Z)-4-amino-4-methanimidoyliminobut-2-enethioamide?
(Z)-4-amino-4-methanimidoyliminobut-2-enethioamide has a molecular weight of 156.21 g/mol, XLogP of -0.21, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-amino-4-methanimidoyliminobut-2-enethioamide is sourced from PubChem (CID 168898527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).