carbamimidoyl N,N-dimethylcarbamimidothioate

C4H10N4S — CID 55291171

IUPACcarbamimidoyl N,N-dimethylcarbamimidothioate
SMILES[H]/N=C(\N)S/C(=N/[H])N(C)C
InChIInChI=1S/C4H10N4S/c1-8(2)4(7)9-3(5)6/h7H,1-2H3,(H3,5,6)/b7-4+
InChIKeyMMXRTZGJNUGOPD-QPJJXVBHSA-N
MW146.22 g/mol
LogP0.11
Rot. Bonds

About carbamimidoyl N,N-dimethylcarbamimidothioate

carbamimidoyl N,N-dimethylcarbamimidothioate (PubChem CID 55291171) has the molecular formula C4H10N4S and a molecular weight of 146.22 g/mol. Its IUPAC name is carbamimidoyl N,N-dimethylcarbamimidothioate.

Molecular Properties

Compound Namecarbamimidoyl N,N-dimethylcarbamimidothioate
PubChem CID55291171
Molecular FormulaC4H10N4S
Molecular Weight146.22 g/mol
Exact Mass146.06
IUPAC Namecarbamimidoyl N,N-dimethylcarbamimidothioate
SMILES[H]/N=C(\N)S/C(=N/[H])N(C)C
InChIInChI=1S/C4H10N4S/c1-8(2)4(7)9-3(5)6/h7H,1-2H3,(H3,5,6)/b7-4+
InChIKeyMMXRTZGJNUGOPD-QPJJXVBHSA-N
XLogP0.11
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.22
LogP ≤ 50.11
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

2-[4-(2-carbamimidoylsulfanylethyl)phenyl]ethyl N,N-dimethylcarbamimidothioate
CID 169053113
[hydroxy-(imino-λ4-sulfanylidene)methyl] carbamimidothioate
CID 150828738
methanol;methyl carbamimidothioate
CID 174859349
[(E)-3-oxobut-1-enyl] carbamimidothioate
CID 12948459
diethylamino carbamimidothioate
CID 150672917
chloro carbamimidothioate
CID 18343918
1-hydroxyethyl carbamimidothioate
CID 19790650
3,4,4-trifluorobut-3-enyl N,N-dimethylcarbamimidothioate
CID 134093243
4-(dimethylamino)butyl carbamimidothioate;dihydrobromide
CID 24836319
hydroxy 1-carbamimidoylsulfanyl-N-propan-2-ylmethanimidate
CID 172757211
formic acid;methyl carbamimidothioate
CID 174666665
[[[4-(dimethylamino)phenyl]diazenyl]-(methyl-λ3-iodanylidene)methyl] N,N-dimethylcarbamimidothioate
CID 163785033

Frequently Asked Questions

What is the IUPAC name of carbamimidoyl N,N-dimethylcarbamimidothioate?
The IUPAC name of carbamimidoyl N,N-dimethylcarbamimidothioate (CID 55291171) is carbamimidoyl N,N-dimethylcarbamimidothioate.
What is the SMILES notation for carbamimidoyl N,N-dimethylcarbamimidothioate?
The canonical SMILES for carbamimidoyl N,N-dimethylcarbamimidothioate is [H]/N=C(\N)S/C(=N/[H])N(C)C.
What is the InChIKey of carbamimidoyl N,N-dimethylcarbamimidothioate?
The InChIKey is MMXRTZGJNUGOPD-QPJJXVBHSA-N. The full InChI is InChI=1S/C4H10N4S/c1-8(2)4(7)9-3(5)6/h7H,1-2H3,(H3,5,6)/b7-4+.
What are the key properties of carbamimidoyl N,N-dimethylcarbamimidothioate?
carbamimidoyl N,N-dimethylcarbamimidothioate has a molecular weight of 146.22 g/mol, XLogP of 0.11, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbamimidoyl N,N-dimethylcarbamimidothioate is sourced from PubChem (CID 55291171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).