methyl N'-cyclopropylcarbamimidothioate;hydroiodide

C5H11IN2S — CID 18622014

IUPACmethyl N'-cyclopropylcarbamimidothioate;hydroiodide
SMILESCS/C(N)=N\C1CC1.I
InChIInChI=1S/C5H10N2S.HI/c1-8-5(6)7-4-2-3-4;/h4H,2-3H2,1H3,(H2,6,7);1H
InChIKeyGFSOTYKJINPYGD-UHFFFAOYSA-N
MW258.13 g/mol
LogP1.44
Rot. Bonds1

About methyl N'-cyclopropylcarbamimidothioate;hydroiodide

methyl N'-cyclopropylcarbamimidothioate;hydroiodide (PubChem CID 18622014) has the molecular formula C5H11IN2S and a molecular weight of 258.13 g/mol. Its IUPAC name is methyl N'-cyclopropylcarbamimidothioate;hydroiodide.

Molecular Properties

Compound Namemethyl N'-cyclopropylcarbamimidothioate;hydroiodide
PubChem CID18622014
Molecular FormulaC5H11IN2S
Molecular Weight258.13 g/mol
Exact Mass257.97
IUPAC Namemethyl N'-cyclopropylcarbamimidothioate;hydroiodide
SMILESCS/C(N)=N\C1CC1.I
InChIInChI=1S/C5H10N2S.HI/c1-8-5(6)7-4-2-3-4;/h4H,2-3H2,1H3,(H2,6,7);1H
InChIKeyGFSOTYKJINPYGD-UHFFFAOYSA-N
XLogP1.44
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.13
LogP ≤ 51.44
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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-Ethyl-2-methylisothiourea hydroiodide
CID 13301349
methyl N'-cyclopropylcarbamimidothioate
CID 18622015
N-isopropyl-S-methyl-isothiourea
CID 21330756
methyl N'-propylcarbamimidothioate;hydroiodide
CID 21400264
methyl N'-propylcarbamimidothioate
CID 21400265
1-Cyclopropyl-2-methyl-3-cyanoisothiourea
CID 21792816
methyl N'-butylcarbamimidothioate;hydroiodide
CID 22154518
methyl N'-butan-2-ylcarbamimidothioate
CID 55288451
methyl N'-propan-2-ylcarbamimidothioate;hydrochloride
CID 88461626
ethyl N'-cyclopropylcarbamimidothioate
CID 130634667
ethyl N'-propan-2-ylcarbamimidothioate;hydroiodide
CID 131085329
methyl N'-pentan-3-ylcarbamimidothioate
CID 143915755

Frequently Asked Questions

What is the IUPAC name of methyl N'-cyclopropylcarbamimidothioate;hydroiodide?
The IUPAC name of methyl N'-cyclopropylcarbamimidothioate;hydroiodide (CID 18622014) is methyl N'-cyclopropylcarbamimidothioate;hydroiodide.
What is the SMILES notation for methyl N'-cyclopropylcarbamimidothioate;hydroiodide?
The canonical SMILES for methyl N'-cyclopropylcarbamimidothioate;hydroiodide is CS/C(N)=N\C1CC1.I.
What is the InChIKey of methyl N'-cyclopropylcarbamimidothioate;hydroiodide?
The InChIKey is GFSOTYKJINPYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2S.HI/c1-8-5(6)7-4-2-3-4;/h4H,2-3H2,1H3,(H2,6,7);1H.
What are the key properties of methyl N'-cyclopropylcarbamimidothioate;hydroiodide?
methyl N'-cyclopropylcarbamimidothioate;hydroiodide has a molecular weight of 258.13 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N'-cyclopropylcarbamimidothioate;hydroiodide is sourced from PubChem (CID 18622014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).