N'-methylsulfanylethane-1,2-diimine

C3H6N2S — CID 173479897

IUPACN'-methylsulfanylethane-1,2-diimine
SMILES[H]/N=C/C=NSC
InChIInChI=1S/C3H6N2S/c1-6-5-3-2-4/h2-4H,1H3/b4-2+,5-3?
InChIKeyJBSULUBTVQMGFW-HKCOAVLJSA-N
MW102.16 g/mol
LogP0.98
Rot. Bonds2

About N'-methylsulfanylethane-1,2-diimine

N'-methylsulfanylethane-1,2-diimine (PubChem CID 173479897) has the molecular formula C3H6N2S and a molecular weight of 102.16 g/mol. Its IUPAC name is N'-methylsulfanylethane-1,2-diimine.

Molecular Properties

Compound NameN'-methylsulfanylethane-1,2-diimine
PubChem CID173479897
Molecular FormulaC3H6N2S
Molecular Weight102.16 g/mol
Exact Mass102.03
IUPAC NameN'-methylsulfanylethane-1,2-diimine
SMILES[H]/N=C/C=NSC
InChIInChI=1S/C3H6N2S/c1-6-5-3-2-4/h2-4H,1H3/b4-2+,5-3?
InChIKeyJBSULUBTVQMGFW-HKCOAVLJSA-N
XLogP0.98
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.16
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-hydrazinylideneethanimine
CID 142835479
N-(2-iminoethylidene)hydroxylamine
CID 163888658
(NE)-N-(2-iminoethylidene)hydroxylamine
CID 137207430
(2-iminoethylideneamino) methanimidate
CID 54223769
1-N-methylsulfanylpropane-1,2-diimine
CID 123518003
N'-(4-methylhexyl)ethane-1,2-diimine
CID 174359205
N,N-dimethyl-N'-methylsulfanylmethanimidamide
CID 123753602
N-[bis(methylsulfanyl)methylidene]methanimidamide
CID 156561995
octa-2,6-dien-1-imine
CID 172654188
methyl N-methanimidoylethanimidothioate
CID 129258091
4-methylsulfanylbutan-1-imine
CID 88877345
ethane;4-ethyl-N-[(Z)-2-iminoethylideneamino]aniline
CID 145394372

Frequently Asked Questions

What is the IUPAC name of N'-methylsulfanylethane-1,2-diimine?
The IUPAC name of N'-methylsulfanylethane-1,2-diimine (CID 173479897) is N'-methylsulfanylethane-1,2-diimine.
What is the SMILES notation for N'-methylsulfanylethane-1,2-diimine?
The canonical SMILES for N'-methylsulfanylethane-1,2-diimine is [H]/N=C/C=NSC.
What is the InChIKey of N'-methylsulfanylethane-1,2-diimine?
The InChIKey is JBSULUBTVQMGFW-HKCOAVLJSA-N. The full InChI is InChI=1S/C3H6N2S/c1-6-5-3-2-4/h2-4H,1H3/b4-2+,5-3?.
What are the key properties of N'-methylsulfanylethane-1,2-diimine?
N'-methylsulfanylethane-1,2-diimine has a molecular weight of 102.16 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methylsulfanylethane-1,2-diimine is sourced from PubChem (CID 173479897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).