2-butylsulfanylethanimidamide

C6H14N2S — CID 43615832

IUPAC2-butylsulfanylethanimidamide
SMILES[H]/N=C(/N)CSCCCC
InChIInChI=1S/C6H14N2S/c1-2-3-4-9-5-6(7)8/h2-5H2,1H3,(H3,7,8)
InChIKeyNFIVTMOVEJQHEL-UHFFFAOYSA-N
MW146.26 g/mol
LogP1.46
Rot. Bonds5

About 2-butylsulfanylethanimidamide

2-butylsulfanylethanimidamide (PubChem CID 43615832) has the molecular formula C6H14N2S and a molecular weight of 146.26 g/mol. Its IUPAC name is 2-butylsulfanylethanimidamide.

Molecular Properties

Compound Name2-butylsulfanylethanimidamide
PubChem CID43615832
Molecular FormulaC6H14N2S
Molecular Weight146.26 g/mol
Exact Mass146.09
IUPAC Name2-butylsulfanylethanimidamide
SMILES[H]/N=C(/N)CSCCCC
InChIInChI=1S/C6H14N2S/c1-2-3-4-9-5-6(7)8/h2-5H2,1H3,(H3,7,8)
InChIKeyNFIVTMOVEJQHEL-UHFFFAOYSA-N
XLogP1.46
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.26
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethylsulfanylbutanimidamide;hydrochloride
CID 86775550
3-butylsulfanyl-2-(butylsulfanylmethyl)prop-1-ene
CID 88752987
1,1-bis(butylsulfanyl)guanidine
CID 87544034
2-(2,3-dihydroxypropylsulfanyl)ethanimidamide
CID 79681850
2-(butylamino)ethanimidamide
CID 126615338
3-iminoheptanimidamide
CID 158715697
CID 88794374
CID 88794374
1-butylsulfanylbutane;hydroiodide
CID 160789075
4-butan-2-ylsulfanylbutanimidamide
CID 43188607
butyl N'-carbamimidoylcarbamimidothioate;hydrobromide
CID 176518902
3-[butyl(methyl)amino]propanimidamide
CID 24696065
ethyl 2-propylsulfanylethanimidate
CID 65128997

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfanylethanimidamide?
The IUPAC name of 2-butylsulfanylethanimidamide (CID 43615832) is 2-butylsulfanylethanimidamide.
What is the SMILES notation for 2-butylsulfanylethanimidamide?
The canonical SMILES for 2-butylsulfanylethanimidamide is [H]/N=C(/N)CSCCCC.
What is the InChIKey of 2-butylsulfanylethanimidamide?
The InChIKey is NFIVTMOVEJQHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2S/c1-2-3-4-9-5-6(7)8/h2-5H2,1H3,(H3,7,8).
What are the key properties of 2-butylsulfanylethanimidamide?
2-butylsulfanylethanimidamide has a molecular weight of 146.26 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfanylethanimidamide is sourced from PubChem (CID 43615832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).