cyclohexyl carbamimidothioate;oxalonitrile

C9H14N4S — CID 162013325

IUPACcyclohexyl carbamimidothioate;oxalonitrile
SMILESN#CC#N.[H]/N=C(\N)SC1CCCCC1
InChIInChI=1S/C7H14N2S.C2N2/c8-7(9)10-6-4-2-1-3-5-6;3-1-2-4/h6H,1-5H2,(H3,8,9);
InChIKeyYTTQVZLHXBSUPH-UHFFFAOYSA-N
MW210.31 g/mol
LogP1.98
Rot. Bonds1

About cyclohexyl carbamimidothioate;oxalonitrile

cyclohexyl carbamimidothioate;oxalonitrile (PubChem CID 162013325) has the molecular formula C9H14N4S and a molecular weight of 210.31 g/mol. Its IUPAC name is cyclohexyl carbamimidothioate;oxalonitrile.

Molecular Properties

Compound Namecyclohexyl carbamimidothioate;oxalonitrile
PubChem CID162013325
Molecular FormulaC9H14N4S
Molecular Weight210.31 g/mol
Exact Mass210.09
IUPAC Namecyclohexyl carbamimidothioate;oxalonitrile
SMILESN#CC#N.[H]/N=C(\N)SC1CCCCC1
InChIInChI=1S/C7H14N2S.C2N2/c8-7(9)10-6-4-2-1-3-5-6;3-1-2-4/h6H,1-5H2,(H3,8,9);
InChIKeyYTTQVZLHXBSUPH-UHFFFAOYSA-N
XLogP1.98
TPSA97.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.31
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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CID 82935855
cyclohexyl carbamimidothioate;hydrobromide
CID 13257205
(1-methylpiperidin-4-yl) carbamimidothioate
CID 164875555
2-[7-(2-carbamimidoylsulfanylethyl)cyclododecyl]ethyl carbamimidothioate
CID 170227665
2-cyclopentylsulfanylethanimidamide
CID 63114985
(2-methoxycyclopentyl) carbamimidothioate
CID 130587171
1,2-bis(cyclohexylsulfanyl)ethene-1,2-dithiol
CID 76563943
(cyclooctylsulfanylamino)urea
CID 151345414
cyclohexylsulfanylformic acid
CID 57292109
2-(cyclohexylsulfanylmethyl)-3,3,3-trifluoropropanimidamide
CID 103371425
4-(cyclohexylsulfanylmethyl)benzenecarboximidamide
CID 60884513
[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl] carbamimidothioate
CID 11368960

Frequently Asked Questions

What is the IUPAC name of cyclohexyl carbamimidothioate;oxalonitrile?
The IUPAC name of cyclohexyl carbamimidothioate;oxalonitrile (CID 162013325) is cyclohexyl carbamimidothioate;oxalonitrile.
What is the SMILES notation for cyclohexyl carbamimidothioate;oxalonitrile?
The canonical SMILES for cyclohexyl carbamimidothioate;oxalonitrile is N#CC#N.[H]/N=C(\N)SC1CCCCC1.
What is the InChIKey of cyclohexyl carbamimidothioate;oxalonitrile?
The InChIKey is YTTQVZLHXBSUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S.C2N2/c8-7(9)10-6-4-2-1-3-5-6;3-1-2-4/h6H,1-5H2,(H3,8,9);.
What are the key properties of cyclohexyl carbamimidothioate;oxalonitrile?
cyclohexyl carbamimidothioate;oxalonitrile has a molecular weight of 210.31 g/mol, XLogP of 1.98, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl carbamimidothioate;oxalonitrile is sourced from PubChem (CID 162013325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).