cyclohexyl carbamimidothioate;hydrobromide

C7H15BrN2S — CID 13257205

IUPACcyclohexyl carbamimidothioate;hydrobromide
SMILESBr.[H]/N=C(\N)SC1CCCCC1
InChIInChI=1S/C7H14N2S.BrH/c8-7(9)10-6-4-2-1-3-5-6;/h6H,1-5H2,(H3,8,9);1H
InChIKeyAWSWDTIGGJNUMP-UHFFFAOYSA-N
MW239.18 g/mol
LogP2.52
Rot. Bonds1

About cyclohexyl carbamimidothioate;hydrobromide

cyclohexyl carbamimidothioate;hydrobromide (PubChem CID 13257205) has the molecular formula C7H15BrN2S and a molecular weight of 239.18 g/mol. Its IUPAC name is cyclohexyl carbamimidothioate;hydrobromide.

Molecular Properties

Compound Namecyclohexyl carbamimidothioate;hydrobromide
PubChem CID13257205
Molecular FormulaC7H15BrN2S
Molecular Weight239.18 g/mol
Exact Mass238.01
IUPAC Namecyclohexyl carbamimidothioate;hydrobromide
SMILESBr.[H]/N=C(\N)SC1CCCCC1
InChIInChI=1S/C7H14N2S.BrH/c8-7(9)10-6-4-2-1-3-5-6;/h6H,1-5H2,(H3,8,9);1H
InChIKeyAWSWDTIGGJNUMP-UHFFFAOYSA-N
XLogP2.52
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.18
LogP ≤ 52.52
H-Bond Donors ≤ 52
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

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2-[7-(2-carbamimidoylsulfanylethyl)cyclododecyl]ethyl carbamimidothioate
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CID 168867321

Frequently Asked Questions

What is the IUPAC name of cyclohexyl carbamimidothioate;hydrobromide?
The IUPAC name of cyclohexyl carbamimidothioate;hydrobromide (CID 13257205) is cyclohexyl carbamimidothioate;hydrobromide.
What is the SMILES notation for cyclohexyl carbamimidothioate;hydrobromide?
The canonical SMILES for cyclohexyl carbamimidothioate;hydrobromide is Br.[H]/N=C(\N)SC1CCCCC1.
What is the InChIKey of cyclohexyl carbamimidothioate;hydrobromide?
The InChIKey is AWSWDTIGGJNUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S.BrH/c8-7(9)10-6-4-2-1-3-5-6;/h6H,1-5H2,(H3,8,9);1H.
What are the key properties of cyclohexyl carbamimidothioate;hydrobromide?
cyclohexyl carbamimidothioate;hydrobromide has a molecular weight of 239.18 g/mol, XLogP of 2.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl carbamimidothioate;hydrobromide is sourced from PubChem (CID 13257205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).