guanidine;methylsulfinylmethane

C3H11N3OS — CID 155669575

IUPACguanidine;methylsulfinylmethane
SMILESCS(C)=O.[H]N=C(N)N
InChIInChI=1S/C2H6OS.CH5N3/c1-4(2)3;2-1(3)4/h1-2H3;(H5,2,3,4)
InChIKeySKJVPPIXGGPQPP-UHFFFAOYSA-N
MW137.21 g/mol
LogP-1.17
Rot. Bonds

About guanidine;methylsulfinylmethane

guanidine;methylsulfinylmethane (PubChem CID 155669575) has the molecular formula C3H11N3OS and a molecular weight of 137.21 g/mol. Its IUPAC name is guanidine;methylsulfinylmethane.

Molecular Properties

Compound Nameguanidine;methylsulfinylmethane
PubChem CID155669575
Molecular FormulaC3H11N3OS
Molecular Weight137.21 g/mol
Exact Mass137.06
IUPAC Nameguanidine;methylsulfinylmethane
SMILESCS(C)=O.[H]N=C(N)N
InChIInChI=1S/C2H6OS.CH5N3/c1-4(2)3;2-1(3)4/h1-2H3;(H5,2,3,4)
InChIKeySKJVPPIXGGPQPP-UHFFFAOYSA-N
XLogP-1.17
TPSA92.96 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.21
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

hydrogen peroxide;methylsulfinylmethane
CID 175320935
methylsulfinylmethane
CID 21183497
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CID 18757553
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CID 175088654
acetic acid;pentakis(guanidine)
CID 174792068
aluminum guanidine
CID 172795268
guanidine;trihydrochloride
CID 23165990
potassium methylsulfinylmethane
CID 22410893
guanidine;propanamide
CID 158320139
acetic acid;guanidine;lanthanum
CID 162180739
CID 174978935
CID 174978935
disodium;guanidine;diacetate
CID 172858856

Frequently Asked Questions

What is the IUPAC name of guanidine;methylsulfinylmethane?
The IUPAC name of guanidine;methylsulfinylmethane (CID 155669575) is guanidine;methylsulfinylmethane.
What is the SMILES notation for guanidine;methylsulfinylmethane?
The canonical SMILES for guanidine;methylsulfinylmethane is CS(C)=O.[H]N=C(N)N.
What is the InChIKey of guanidine;methylsulfinylmethane?
The InChIKey is SKJVPPIXGGPQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6OS.CH5N3/c1-4(2)3;2-1(3)4/h1-2H3;(H5,2,3,4).
What are the key properties of guanidine;methylsulfinylmethane?
guanidine;methylsulfinylmethane has a molecular weight of 137.21 g/mol, XLogP of -1.17, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for guanidine;methylsulfinylmethane is sourced from PubChem (CID 155669575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).