prop-2-enyl N'-propylcarbamimidothioate;hydrochloride

C7H15ClN2S — CID 130978662

IUPACprop-2-enyl N'-propylcarbamimidothioate;hydrochloride
SMILESC=CCS/C(N)=N\CCC.Cl
InChIInChI=1S/C7H14N2S.ClH/c1-3-5-9-7(8)10-6-4-2;/h4H,2-3,5-6H2,1H3,(H2,8,9);1H
InChIKeyWUQMZGNAFVZOKI-UHFFFAOYSA-N
MW194.73 g/mol
LogP2.05
Rot. Bonds4

About prop-2-enyl N'-propylcarbamimidothioate;hydrochloride

prop-2-enyl N'-propylcarbamimidothioate;hydrochloride (PubChem CID 130978662) has the molecular formula C7H15ClN2S and a molecular weight of 194.73 g/mol. Its IUPAC name is prop-2-enyl N'-propylcarbamimidothioate;hydrochloride.

Molecular Properties

Compound Nameprop-2-enyl N'-propylcarbamimidothioate;hydrochloride
PubChem CID130978662
Molecular FormulaC7H15ClN2S
Molecular Weight194.73 g/mol
Exact Mass194.06
IUPAC Nameprop-2-enyl N'-propylcarbamimidothioate;hydrochloride
SMILESC=CCS/C(N)=N\CCC.Cl
InChIInChI=1S/C7H14N2S.ClH/c1-3-5-9-7(8)10-6-4-2;/h4H,2-3,5-6H2,1H3,(H2,8,9);1H
InChIKeyWUQMZGNAFVZOKI-UHFFFAOYSA-N
XLogP2.05
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.73
LogP ≤ 52.05
H-Bond Donors ≤ 51
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

prop-2-enyl N'-(2-hydrazinylideneethyl)carbamimidothioate;hydrochloride
CID 88646221
prop-2-enyl N'-ethanehydrazonoylcarbamimidothioate
CID 88646219
ethyl N'-hexylcarbamimidothioate
CID 154136436
1-ethyl-3-(2-prop-2-enylsulfanylethyl)-2-propylguanidine;hydroiodide
CID 111227718
ethane;N'-propylethanimidamide
CID 156797871
1-amino-2-propylguanidine;hydrochloride
CID 173441996
prop-2-enyl N'-(thiophen-3-ylmethylideneamino)carbamimidothioate
CID 172938912
prop-2-enyl N-carbamimidoyl-N'-propan-2-ylcarbamimidothioate;hydrochloride
CID 176518910
N-ethenyl-N'-propylethanimidamide
CID 123737533
ethene;methane;2-propyl-1-(N'-propylcarbamimidoyl)guanidine;vanadium
CID 158727971
2-(N'-prop-2-enylcarbamimidoyl)sulfanylacetic acid
CID 19581403
prop-2-enyl N'-[(2-hydroxyphenyl)methylideneamino]carbamimidothioate
CID 5022451

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N'-propylcarbamimidothioate;hydrochloride?
The IUPAC name of prop-2-enyl N'-propylcarbamimidothioate;hydrochloride (CID 130978662) is prop-2-enyl N'-propylcarbamimidothioate;hydrochloride.
What is the SMILES notation for prop-2-enyl N'-propylcarbamimidothioate;hydrochloride?
The canonical SMILES for prop-2-enyl N'-propylcarbamimidothioate;hydrochloride is C=CCS/C(N)=N\CCC.Cl.
What is the InChIKey of prop-2-enyl N'-propylcarbamimidothioate;hydrochloride?
The InChIKey is WUQMZGNAFVZOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S.ClH/c1-3-5-9-7(8)10-6-4-2;/h4H,2-3,5-6H2,1H3,(H2,8,9);1H.
What are the key properties of prop-2-enyl N'-propylcarbamimidothioate;hydrochloride?
prop-2-enyl N'-propylcarbamimidothioate;hydrochloride has a molecular weight of 194.73 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N'-propylcarbamimidothioate;hydrochloride is sourced from PubChem (CID 130978662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).