1-[dihydroxy(methyl)-λ4-sulfanyl]-1-methyl-3-methylideneguanidine

C4H11N3O2S — CID 144700941

IUPAC1-[dihydroxy(methyl)-λ4-sulfanyl]-1-methyl-3-methylideneguanidine
SMILES[H]/N=C(\N=C)N(C)S(C)(O)O
InChIInChI=1S/C4H11N3O2S/c1-6-4(5)7(2)10(3,8)9/h5,8-9H,1H2,2-3H3/b5-4+
InChIKeyKVEFCQUFNJARNF-SNAWJCMRSA-N
MW165.22 g/mol
LogP0.85
Rot. Bonds1

About 1-[dihydroxy(methyl)-λ4-sulfanyl]-1-methyl-3-methylideneguanidine

1-[dihydroxy(methyl)-λ4-sulfanyl]-1-methyl-3-methylideneguanidine (PubChem CID 144700941) has the molecular formula C4H11N3O2S and a molecular weight of 165.22 g/mol. Its IUPAC name is 1-[dihydroxy(methyl)-λ4-sulfanyl]-1-methyl-3-methylideneguanidine.

Molecular Properties

Compound Name1-[dihydroxy(methyl)-λ4-sulfanyl]-1-methyl-3-methylideneguanidine
PubChem CID144700941
Molecular FormulaC4H11N3O2S
Molecular Weight165.22 g/mol
Exact Mass165.06
IUPAC Name1-[dihydroxy(methyl)-λ4-sulfanyl]-1-methyl-3-methylideneguanidine
SMILES[H]/N=C(\N=C)N(C)S(C)(O)O
InChIInChI=1S/C4H11N3O2S/c1-6-4(5)7(2)10(3,8)9/h5,8-9H,1H2,2-3H3/b5-4+
InChIKeyKVEFCQUFNJARNF-SNAWJCMRSA-N
XLogP0.85
TPSA79.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

1-ethyl-1-methyl-3-methylideneguanidine
CID 59950676
1-methyl-3-methylidene-1-[(Z)-propylideneamino]guanidine
CID 90839193
ethane;1-methyl-3-methylidene-1-[(2S)-pentan-2-yl]guanidine;2-methylprop-1-ene
CID 143987193
1,1-dimethyl-3-prop-2-enylideneguanidine
CID 173495661
N,N-dimethyl-1-methylsulfonylmethanimidamide
CID 155797098
2-[N,N-di(propan-2-yl)carbamimidoyl]-1,1-di(propan-2-yl)guanidine;sulfuric acid
CID 86583226
2-hydroxy-2-methyl-N-methylidenepropanimidamide
CID 165398140
N'-[(Z)-3-imino-2-methyl-1-(methylideneamino)but-1-enyl]-N,N,N'-trimethylethane-1,2-diamine
CID 90453765
1-methylideneguanidine;hydrate
CID 173023298
N-ethenyl-N-methylprop-2-enimidamide
CID 143801656
1-(1-hydroxyethyl)-1-methylguanidine
CID 21449246
acetic acid;3-(diaminomethylidene)-1,1-dimethylguanidine
CID 24961549

Frequently Asked Questions

What is the IUPAC name of 1-[dihydroxy(methyl)-λ4-sulfanyl]-1-methyl-3-methylideneguanidine?
The IUPAC name of 1-[dihydroxy(methyl)-λ4-sulfanyl]-1-methyl-3-methylideneguanidine (CID 144700941) is 1-[dihydroxy(methyl)-λ4-sulfanyl]-1-methyl-3-methylideneguanidine.
What is the SMILES notation for 1-[dihydroxy(methyl)-λ4-sulfanyl]-1-methyl-3-methylideneguanidine?
The canonical SMILES for 1-[dihydroxy(methyl)-λ4-sulfanyl]-1-methyl-3-methylideneguanidine is [H]/N=C(\N=C)N(C)S(C)(O)O.
What is the InChIKey of 1-[dihydroxy(methyl)-λ4-sulfanyl]-1-methyl-3-methylideneguanidine?
The InChIKey is KVEFCQUFNJARNF-SNAWJCMRSA-N. The full InChI is InChI=1S/C4H11N3O2S/c1-6-4(5)7(2)10(3,8)9/h5,8-9H,1H2,2-3H3/b5-4+.
What are the key properties of 1-[dihydroxy(methyl)-λ4-sulfanyl]-1-methyl-3-methylideneguanidine?
1-[dihydroxy(methyl)-λ4-sulfanyl]-1-methyl-3-methylideneguanidine has a molecular weight of 165.22 g/mol, XLogP of 0.85, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dihydroxy(methyl)-λ4-sulfanyl]-1-methyl-3-methylideneguanidine is sourced from PubChem (CID 144700941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).