prop-2-enyl N'-ethanehydrazonoylcarbamimidothioate

C6H12N4S — CID 88646219

IUPACprop-2-enyl N'-ethanehydrazonoylcarbamimidothioate
SMILESC=CCS/C(N)=N\C(C)=N\N
InChIInChI=1S/C6H12N4S/c1-3-4-11-6(7)9-5(2)10-8/h3H,1,4,8H2,2H3,(H2,7,9,10)
InChIKeyHMVBYYUEXAJBPD-UHFFFAOYSA-N
MW172.26 g/mol
LogP0.51
Rot. Bonds2

About prop-2-enyl N'-ethanehydrazonoylcarbamimidothioate

prop-2-enyl N'-ethanehydrazonoylcarbamimidothioate (PubChem CID 88646219) has the molecular formula C6H12N4S and a molecular weight of 172.26 g/mol. Its IUPAC name is prop-2-enyl N'-ethanehydrazonoylcarbamimidothioate.

Molecular Properties

Compound Nameprop-2-enyl N'-ethanehydrazonoylcarbamimidothioate
PubChem CID88646219
Molecular FormulaC6H12N4S
Molecular Weight172.26 g/mol
Exact Mass172.08
IUPAC Nameprop-2-enyl N'-ethanehydrazonoylcarbamimidothioate
SMILESC=CCS/C(N)=N\C(C)=N\N
InChIInChI=1S/C6H12N4S/c1-3-4-11-6(7)9-5(2)10-8/h3H,1,4,8H2,2H3,(H2,7,9,10)
InChIKeyHMVBYYUEXAJBPD-UHFFFAOYSA-N
XLogP0.51
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.26
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

prop-2-enyl N'-propylcarbamimidothioate;hydrochloride
CID 130978662
prop-2-enyl N'-(2-hydrazinylideneethyl)carbamimidothioate;hydrochloride
CID 88646221
but-2-enyl N'-aminocarbamimidothioate
CID 77060652
(2S)-2-amino-5-[[amino(prop-2-enylsulfanyl)methylidene]amino]pentanoic acid
CID 15480439
prop-2-enyl N'-[(2-hydroxyphenyl)methylideneamino]carbamimidothioate
CID 5022451
3-prop-2-enylsulfanylprop-1-ene;urea
CID 174462951
prop-2-enyl N'-(thiophen-3-ylmethylideneamino)carbamimidothioate
CID 172938912
prop-2-enyl N'-[(4-chlorobenzoyl)amino]carbamimidothioate
CID 11820948
prop-2-enyl N-carbamimidoyl-N'-propan-2-ylcarbamimidothioate;hydrochloride
CID 176518910
prop-2-enyl N-carbamimidoyl-N-methylcarbamimidothioate
CID 173402457
prop-2-enylsulfanylmethanethioic S-acid
CID 87246212
2-methyl-3-prop-2-enylsulfanylprop-1-ene
CID 10953531

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N'-ethanehydrazonoylcarbamimidothioate?
The IUPAC name of prop-2-enyl N'-ethanehydrazonoylcarbamimidothioate (CID 88646219) is prop-2-enyl N'-ethanehydrazonoylcarbamimidothioate.
What is the SMILES notation for prop-2-enyl N'-ethanehydrazonoylcarbamimidothioate?
The canonical SMILES for prop-2-enyl N'-ethanehydrazonoylcarbamimidothioate is C=CCS/C(N)=N\C(C)=N\N.
What is the InChIKey of prop-2-enyl N'-ethanehydrazonoylcarbamimidothioate?
The InChIKey is HMVBYYUEXAJBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4S/c1-3-4-11-6(7)9-5(2)10-8/h3H,1,4,8H2,2H3,(H2,7,9,10).
What are the key properties of prop-2-enyl N'-ethanehydrazonoylcarbamimidothioate?
prop-2-enyl N'-ethanehydrazonoylcarbamimidothioate has a molecular weight of 172.26 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N'-ethanehydrazonoylcarbamimidothioate is sourced from PubChem (CID 88646219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).