N'-propan-2-yl-2-sulfanylethanimidamide;hydrochloride

C5H13ClN2S — CID 90668585

IUPACN'-propan-2-yl-2-sulfanylethanimidamide;hydrochloride
SMILESCC(C)/N=C(/N)CS.Cl
InChIInChI=1S/C5H12N2S.ClH/c1-4(2)7-5(6)3-8;/h4,8H,3H2,1-2H3,(H2,6,7);1H
InChIKeyLFRZOXJXXFMBRV-UHFFFAOYSA-N
MW168.69 g/mol
LogP1.10
Rot. Bonds2

About N'-propan-2-yl-2-sulfanylethanimidamide;hydrochloride

N'-propan-2-yl-2-sulfanylethanimidamide;hydrochloride (PubChem CID 90668585) has the molecular formula C5H13ClN2S and a molecular weight of 168.69 g/mol. Its IUPAC name is N'-propan-2-yl-2-sulfanylethanimidamide;hydrochloride.

Molecular Properties

Compound NameN'-propan-2-yl-2-sulfanylethanimidamide;hydrochloride
PubChem CID90668585
Molecular FormulaC5H13ClN2S
Molecular Weight168.69 g/mol
Exact Mass168.05
IUPAC NameN'-propan-2-yl-2-sulfanylethanimidamide;hydrochloride
SMILESCC(C)/N=C(/N)CS.Cl
InChIInChI=1S/C5H12N2S.ClH/c1-4(2)7-5(6)3-8;/h4,8H,3H2,1-2H3,(H2,6,7);1H
InChIKeyLFRZOXJXXFMBRV-UHFFFAOYSA-N
XLogP1.10
TPSA38.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.69
LogP ≤ 51.10
H-Bond Donors ≤ 52
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': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-propan-2-yl-2-sulfanylethanimidamide;hydrochloride?
The IUPAC name of N'-propan-2-yl-2-sulfanylethanimidamide;hydrochloride (CID 90668585) is N'-propan-2-yl-2-sulfanylethanimidamide;hydrochloride.
What is the SMILES notation for N'-propan-2-yl-2-sulfanylethanimidamide;hydrochloride?
The canonical SMILES for N'-propan-2-yl-2-sulfanylethanimidamide;hydrochloride is CC(C)/N=C(/N)CS.Cl.
What is the InChIKey of N'-propan-2-yl-2-sulfanylethanimidamide;hydrochloride?
The InChIKey is LFRZOXJXXFMBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2S.ClH/c1-4(2)7-5(6)3-8;/h4,8H,3H2,1-2H3,(H2,6,7);1H.
What are the key properties of N'-propan-2-yl-2-sulfanylethanimidamide;hydrochloride?
N'-propan-2-yl-2-sulfanylethanimidamide;hydrochloride has a molecular weight of 168.69 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-yl-2-sulfanylethanimidamide;hydrochloride is sourced from PubChem (CID 90668585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).