1-methyl-1-propan-2-yl-2-(trimethyl-λ4-sulfanyl)guanidine

C8H21N3S — CID 123982352

IUPAC1-methyl-1-propan-2-yl-2-(trimethyl-λ4-sulfanyl)guanidine
SMILESCC(C)N(C)C(N)=NS(C)(C)C
InChIInChI=1S/C8H21N3S/c1-7(2)11(3)8(9)10-12(4,5)6/h7H,1-6H3,(H2,9,10)
InChIKeyNAZFFTHRXNNYPD-UHFFFAOYSA-N
MW191.34 g/mol
LogP1.25
Rot. Bonds2

About 1-methyl-1-propan-2-yl-2-(trimethyl-λ4-sulfanyl)guanidine

1-methyl-1-propan-2-yl-2-(trimethyl-λ4-sulfanyl)guanidine (PubChem CID 123982352) has the molecular formula C8H21N3S and a molecular weight of 191.34 g/mol. Its IUPAC name is 1-methyl-1-propan-2-yl-2-(trimethyl-λ4-sulfanyl)guanidine.

Molecular Properties

Compound Name1-methyl-1-propan-2-yl-2-(trimethyl-λ4-sulfanyl)guanidine
PubChem CID123982352
Molecular FormulaC8H21N3S
Molecular Weight191.34 g/mol
Exact Mass191.15
IUPAC Name1-methyl-1-propan-2-yl-2-(trimethyl-λ4-sulfanyl)guanidine
SMILESCC(C)N(C)C(N)=NS(C)(C)C
InChIInChI=1S/C8H21N3S/c1-7(2)11(3)8(9)10-12(4,5)6/h7H,1-6H3,(H2,9,10)
InChIKeyNAZFFTHRXNNYPD-UHFFFAOYSA-N
XLogP1.25
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.34
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-propan-2-yl-2-(trimethyl-λ4-sulfanyl)guanidine?
The IUPAC name of 1-methyl-1-propan-2-yl-2-(trimethyl-λ4-sulfanyl)guanidine (CID 123982352) is 1-methyl-1-propan-2-yl-2-(trimethyl-λ4-sulfanyl)guanidine.
What is the SMILES notation for 1-methyl-1-propan-2-yl-2-(trimethyl-λ4-sulfanyl)guanidine?
The canonical SMILES for 1-methyl-1-propan-2-yl-2-(trimethyl-λ4-sulfanyl)guanidine is CC(C)N(C)C(N)=NS(C)(C)C.
What is the InChIKey of 1-methyl-1-propan-2-yl-2-(trimethyl-λ4-sulfanyl)guanidine?
The InChIKey is NAZFFTHRXNNYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3S/c1-7(2)11(3)8(9)10-12(4,5)6/h7H,1-6H3,(H2,9,10).
What are the key properties of 1-methyl-1-propan-2-yl-2-(trimethyl-λ4-sulfanyl)guanidine?
1-methyl-1-propan-2-yl-2-(trimethyl-λ4-sulfanyl)guanidine has a molecular weight of 191.34 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-propan-2-yl-2-(trimethyl-λ4-sulfanyl)guanidine is sourced from PubChem (CID 123982352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).