2-(2-methoxyethoxy)ethyl N-(diaminomethylidene)carbamimidothioate

C7H16N4O2S — CID 83083148

IUPAC2-(2-methoxyethoxy)ethyl N-(diaminomethylidene)carbamimidothioate
SMILES[H]/N=C(/N=C(N)N)SCCOCCOC
InChIInChI=1S/C7H16N4O2S/c1-12-2-3-13-4-5-14-7(10)11-6(8)9/h2-5H2,1H3,(H5,8,9,10,11)
InChIKeyGQLMUTRGBCMOEL-UHFFFAOYSA-N
MW220.30 g/mol
LogP-0.41
Rot. Bonds6

About 2-(2-methoxyethoxy)ethyl N-(diaminomethylidene)carbamimidothioate

2-(2-methoxyethoxy)ethyl N-(diaminomethylidene)carbamimidothioate (PubChem CID 83083148) has the molecular formula C7H16N4O2S and a molecular weight of 220.30 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)ethyl N-(diaminomethylidene)carbamimidothioate.

Molecular Properties

Compound Name2-(2-methoxyethoxy)ethyl N-(diaminomethylidene)carbamimidothioate
PubChem CID83083148
Molecular FormulaC7H16N4O2S
Molecular Weight220.30 g/mol
Exact Mass220.10
IUPAC Name2-(2-methoxyethoxy)ethyl N-(diaminomethylidene)carbamimidothioate
SMILES[H]/N=C(/N=C(N)N)SCCOCCOC
InChIInChI=1S/C7H16N4O2S/c1-12-2-3-13-4-5-14-7(10)11-6(8)9/h2-5H2,1H3,(H5,8,9,10,11)
InChIKeyGQLMUTRGBCMOEL-UHFFFAOYSA-N
XLogP-0.41
TPSA106.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[N-(diaminomethylidene)carbamimidoyl]sulfanylbutanoate
CID 83083454
3-(2-methoxyethoxy)propyl carbamimidothioate
CID 103415011
[1-(2-methoxyethylamino)-1-oxopropan-2-yl] N-(diaminomethylidene)carbamimidothioate
CID 83082650
2-(trifluoromethylsulfanyl)ethyl N-(diaminomethylidene)carbamimidothioate
CID 104891387
2-[2-(2-butoxyethoxy)ethoxy]ethyl carbamimidothioate
CID 104568452
2-(oxan-2-yloxy)ethyl N-(diaminomethylidene)carbamimidothioate
CID 83083051
(4-methoxyphenyl)methyl N-(diaminomethylidene)carbamimidothioate
CID 11995626
3-pyrrolidin-1-ylpropyl N-(diaminomethylidene)carbamimidothioate
CID 83083282
cyclopropylmethyl N-(diaminomethylidene)carbamimidothioate
CID 83082831
(4-methylphenyl)methyl N-(diaminomethylidene)carbamimidothioate
CID 11995627
2-(2-hydroxyethoxy)ethyl carbamimidothioate
CID 65212281
1-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyldisulfanyl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 102414986

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)ethyl N-(diaminomethylidene)carbamimidothioate?
The IUPAC name of 2-(2-methoxyethoxy)ethyl N-(diaminomethylidene)carbamimidothioate (CID 83083148) is 2-(2-methoxyethoxy)ethyl N-(diaminomethylidene)carbamimidothioate.
What is the SMILES notation for 2-(2-methoxyethoxy)ethyl N-(diaminomethylidene)carbamimidothioate?
The canonical SMILES for 2-(2-methoxyethoxy)ethyl N-(diaminomethylidene)carbamimidothioate is [H]/N=C(/N=C(N)N)SCCOCCOC.
What is the InChIKey of 2-(2-methoxyethoxy)ethyl N-(diaminomethylidene)carbamimidothioate?
The InChIKey is GQLMUTRGBCMOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O2S/c1-12-2-3-13-4-5-14-7(10)11-6(8)9/h2-5H2,1H3,(H5,8,9,10,11).
What are the key properties of 2-(2-methoxyethoxy)ethyl N-(diaminomethylidene)carbamimidothioate?
2-(2-methoxyethoxy)ethyl N-(diaminomethylidene)carbamimidothioate has a molecular weight of 220.30 g/mol, XLogP of -0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)ethyl N-(diaminomethylidene)carbamimidothioate is sourced from PubChem (CID 83083148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).