methyl (NE)-N-(dimethylaminomethylidene)-N'-ethylcarbamimidothioate

C7H15N3S — CID 134894287

IUPACmethyl (NE)-N-(dimethylaminomethylidene)-N'-ethylcarbamimidothioate
SMILESCC/N=C(/N=C/N(C)C)SC
InChIInChI=1S/C7H15N3S/c1-5-8-7(11-4)9-6-10(2)3/h6H,5H2,1-4H3/b8-7-,9-6+
InChIKeyFTNUZNGLXZJHET-SOKJVCRVSA-N
MW173.28 g/mol
LogP1.32
Rot. Bonds2

About methyl (NE)-N-(dimethylaminomethylidene)-N'-ethylcarbamimidothioate

methyl (NE)-N-(dimethylaminomethylidene)-N'-ethylcarbamimidothioate (PubChem CID 134894287) has the molecular formula C7H15N3S and a molecular weight of 173.28 g/mol. Its IUPAC name is methyl (NE)-N-(dimethylaminomethylidene)-N'-ethylcarbamimidothioate.

Molecular Properties

Compound Namemethyl (NE)-N-(dimethylaminomethylidene)-N'-ethylcarbamimidothioate
PubChem CID134894287
Molecular FormulaC7H15N3S
Molecular Weight173.28 g/mol
Exact Mass173.10
IUPAC Namemethyl (NE)-N-(dimethylaminomethylidene)-N'-ethylcarbamimidothioate
SMILESCC/N=C(/N=C/N(C)C)SC
InChIInChI=1S/C7H15N3S/c1-5-8-7(11-4)9-6-10(2)3/h6H,5H2,1-4H3/b8-7-,9-6+
InChIKeyFTNUZNGLXZJHET-SOKJVCRVSA-N
XLogP1.32
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 51.32
H-Bond Donors ≤ 50
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

(1Z)-1-(dimethylaminomethylidene)-3-ethylthiourea
CID 58957980
methyl N'-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-N-(dimethylaminomethylidene)carbamimidothioate
CID 97295486
1,3-bis(dimethylaminomethylidene)thiourea
CID 3370715
methyl N'-ethylcarbamimidothioate;hydrochloride
CID 158305401
N,N-dimethyl-N'-methylsulfanylmethanimidamide
CID 123753602
N'-[(E)-N-ethyl-N'-nitrocarbamimidoyl]-N,N-dimethylmethanimidamide
CID 173360206
N'-[(Z)-1-(ethylamino)-2-nitroethenyl]-N,N-dimethylmethanimidamide
CID 19754520
bis((Z)-3-ethylimino-3-methylsulfanyl-1-phenylprop-1-ene-1-thiolate);nickel(2+)
CID 11763177
2-ethylimino-2-methylsulfanylacetic acid
CID 87606633
bis(N-(dimethylamino)-N'-ethylcarbamimidothioate);nickel
CID 50934095
2,2,2-trichloro-N-(dimethylaminomethylidene)acetamide
CID 13186864
methyl N'-[12-[[dimethylamino(methylsulfanyl)methylidene]amino]dodecyl]-N,N-dimethylcarbamimidothioate
CID 24741834

Frequently Asked Questions

What is the IUPAC name of methyl (NE)-N-(dimethylaminomethylidene)-N'-ethylcarbamimidothioate?
The IUPAC name of methyl (NE)-N-(dimethylaminomethylidene)-N'-ethylcarbamimidothioate (CID 134894287) is methyl (NE)-N-(dimethylaminomethylidene)-N'-ethylcarbamimidothioate.
What is the SMILES notation for methyl (NE)-N-(dimethylaminomethylidene)-N'-ethylcarbamimidothioate?
The canonical SMILES for methyl (NE)-N-(dimethylaminomethylidene)-N'-ethylcarbamimidothioate is CC/N=C(/N=C/N(C)C)SC.
What is the InChIKey of methyl (NE)-N-(dimethylaminomethylidene)-N'-ethylcarbamimidothioate?
The InChIKey is FTNUZNGLXZJHET-SOKJVCRVSA-N. The full InChI is InChI=1S/C7H15N3S/c1-5-8-7(11-4)9-6-10(2)3/h6H,5H2,1-4H3/b8-7-,9-6+.
What are the key properties of methyl (NE)-N-(dimethylaminomethylidene)-N'-ethylcarbamimidothioate?
methyl (NE)-N-(dimethylaminomethylidene)-N'-ethylcarbamimidothioate has a molecular weight of 173.28 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (NE)-N-(dimethylaminomethylidene)-N'-ethylcarbamimidothioate is sourced from PubChem (CID 134894287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).