N-propan-2-yl-N,N'-bis(sulfanylmethyl)ethanimidamide

C7H16N2S2 — CID 164812943

IUPACN-propan-2-yl-N,N'-bis(sulfanylmethyl)ethanimidamide
SMILESC/C(=N/CS)N(CS)C(C)C
InChIInChI=1S/C7H16N2S2/c1-6(2)9(5-11)7(3)8-4-10/h6,10-11H,4-5H2,1-3H3/b8-7-
InChIKeyHLOXYVAGQBEVAH-FPLPWBNLSA-N
MW192.35 g/mol
LogP1.89
Rot. Bonds3

About N-propan-2-yl-N,N'-bis(sulfanylmethyl)ethanimidamide

N-propan-2-yl-N,N'-bis(sulfanylmethyl)ethanimidamide (PubChem CID 164812943) has the molecular formula C7H16N2S2 and a molecular weight of 192.35 g/mol. Its IUPAC name is N-propan-2-yl-N,N'-bis(sulfanylmethyl)ethanimidamide.

Molecular Properties

Compound NameN-propan-2-yl-N,N'-bis(sulfanylmethyl)ethanimidamide
PubChem CID164812943
Molecular FormulaC7H16N2S2
Molecular Weight192.35 g/mol
Exact Mass192.08
IUPAC NameN-propan-2-yl-N,N'-bis(sulfanylmethyl)ethanimidamide
SMILESC/C(=N/CS)N(CS)C(C)C
InChIInChI=1S/C7H16N2S2/c1-6(2)9(5-11)7(3)8-4-10/h6,10-11H,4-5H2,1-3H3/b8-7-
InChIKeyHLOXYVAGQBEVAH-FPLPWBNLSA-N
XLogP1.89
TPSA15.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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-N,N'-bis(sulfanylmethyl)ethanimidamide?
The IUPAC name of N-propan-2-yl-N,N'-bis(sulfanylmethyl)ethanimidamide (CID 164812943) is N-propan-2-yl-N,N'-bis(sulfanylmethyl)ethanimidamide.
What is the SMILES notation for N-propan-2-yl-N,N'-bis(sulfanylmethyl)ethanimidamide?
The canonical SMILES for N-propan-2-yl-N,N'-bis(sulfanylmethyl)ethanimidamide is C/C(=N/CS)N(CS)C(C)C.
What is the InChIKey of N-propan-2-yl-N,N'-bis(sulfanylmethyl)ethanimidamide?
The InChIKey is HLOXYVAGQBEVAH-FPLPWBNLSA-N. The full InChI is InChI=1S/C7H16N2S2/c1-6(2)9(5-11)7(3)8-4-10/h6,10-11H,4-5H2,1-3H3/b8-7-.
What are the key properties of N-propan-2-yl-N,N'-bis(sulfanylmethyl)ethanimidamide?
N-propan-2-yl-N,N'-bis(sulfanylmethyl)ethanimidamide has a molecular weight of 192.35 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N,N'-bis(sulfanylmethyl)ethanimidamide is sourced from PubChem (CID 164812943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).