nitroso N,N'-dimethylcarbamimidothioate

C3H7N3OS — CID 23278971

IUPACnitroso N,N'-dimethylcarbamimidothioate
SMILESC/N=C(/NC)SN=O
InChIInChI=1S/C3H7N3OS/c1-4-3(5-2)8-6-7/h1-2H3,(H,4,5)
InChIKeyJIAWHNCMVXAJSU-UHFFFAOYSA-N
MW133.18 g/mol
LogP0.61
Rot. Bonds1

About nitroso N,N'-dimethylcarbamimidothioate

nitroso N,N'-dimethylcarbamimidothioate (PubChem CID 23278971) has the molecular formula C3H7N3OS and a molecular weight of 133.18 g/mol. Its IUPAC name is nitroso N,N'-dimethylcarbamimidothioate.

Molecular Properties

Compound Namenitroso N,N'-dimethylcarbamimidothioate
PubChem CID23278971
Molecular FormulaC3H7N3OS
Molecular Weight133.18 g/mol
Exact Mass133.03
IUPAC Namenitroso N,N'-dimethylcarbamimidothioate
SMILESC/N=C(/NC)SN=O
InChIInChI=1S/C3H7N3OS/c1-4-3(5-2)8-6-7/h1-2H3,(H,4,5)
InChIKeyJIAWHNCMVXAJSU-UHFFFAOYSA-N
XLogP0.61
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.18
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[bis[2-(N,N'-dimethylcarbamimidoyl)sulfanylethyl]amino]ethyl-[2-(N,N'-dimethylcarbamimidoyl)sulfanylethyl]amino]ethyl N,N'-dimethylcarbamimidothioate
CID 71588447
but-3-enyl N,N'-dimethylcarbamimidothioate
CID 131169747
3-methylbut-3-enyl N,N'-dimethylcarbamimidothioate
CID 131224532
pentan-2-yl N,N'-dimethylcarbamimidothioate
CID 131224536
3-hydroxybutyl N,N'-dimethylcarbamimidothioate
CID 131224543
1-cyanopropyl N,N'-dimethylcarbamimidothioate
CID 130839885
ethane;ethenyl N'-methyl-N-(methylcarbamoyl)carbamimidothioate
CID 143858168
2-(4-methoxyphenoxy)ethyl N,N'-dimethylcarbamimidothioate
CID 2473500
[4-(hydroxymethyl)phenyl]methyl N,N'-dimethylcarbamimidothioate
CID 110004676
N-methyl-2-(methylamino)-3-nitrososulfanylpropanamide
CID 123221245
[amino-(3-but-3-enyl-4-nitroso-2-pyridinyl)methyl] N,N'-dimethylcarbamimidothioate
CID 163573087
cyclohex-2-en-1-yl N,N'-dimethylcarbamimidothioate
CID 131146191

Frequently Asked Questions

What is the IUPAC name of nitroso N,N'-dimethylcarbamimidothioate?
The IUPAC name of nitroso N,N'-dimethylcarbamimidothioate (CID 23278971) is nitroso N,N'-dimethylcarbamimidothioate.
What is the SMILES notation for nitroso N,N'-dimethylcarbamimidothioate?
The canonical SMILES for nitroso N,N'-dimethylcarbamimidothioate is C/N=C(/NC)SN=O.
What is the InChIKey of nitroso N,N'-dimethylcarbamimidothioate?
The InChIKey is JIAWHNCMVXAJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N3OS/c1-4-3(5-2)8-6-7/h1-2H3,(H,4,5).
What are the key properties of nitroso N,N'-dimethylcarbamimidothioate?
nitroso N,N'-dimethylcarbamimidothioate has a molecular weight of 133.18 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nitroso N,N'-dimethylcarbamimidothioate is sourced from PubChem (CID 23278971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).