carbamothioyl chloride;piperidine

C6H13ClN2S — CID 174468321

IUPACcarbamothioyl chloride;piperidine
SMILESC1CCNCC1.NC(=S)Cl
InChIInChI=1S/C5H11N.CH2ClNS/c1-2-4-6-5-3-1;2-1(3)4/h6H,1-5H2;(H2,3,4)
InChIKeyULVYZSTUTBQHJD-UHFFFAOYSA-N
MW180.70 g/mol
LogP1.23
Rot. Bonds

About carbamothioyl chloride;piperidine

carbamothioyl chloride;piperidine (PubChem CID 174468321) has the molecular formula C6H13ClN2S and a molecular weight of 180.70 g/mol. Its IUPAC name is carbamothioyl chloride;piperidine.

Molecular Properties

Compound Namecarbamothioyl chloride;piperidine
PubChem CID174468321
Molecular FormulaC6H13ClN2S
Molecular Weight180.70 g/mol
Exact Mass180.05
IUPAC Namecarbamothioyl chloride;piperidine
SMILESC1CCNCC1.NC(=S)Cl
InChIInChI=1S/C5H11N.CH2ClNS/c1-2-4-6-5-3-1;2-1(3)4/h6H,1-5H2;(H2,3,4)
InChIKeyULVYZSTUTBQHJD-UHFFFAOYSA-N
XLogP1.23
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.70
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

azacycloheptadecane
CID 22627811
azepane;piperidine
CID 67415778
1,12,23,34-tetrazacyclotetratetracontane
CID 15722582
1,6,13-triazacyclononadecane
CID 71376561
1,8,15,22-tetrazacyclooctacosane
CID 15722579
azacyclotriacontane
CID 57238597
carbamodithioic acid;1,4-diazepane
CID 160784394
azonane;manganese
CID 57468151
1,4,11,14-tetrazacycloicosane
CID 10989751
λ2-plumbane;piperidine
CID 174691301
azane;carbamodithioic acid;formic acid;pyrrolidine
CID 174851423
zinc;piperidine;dicarbamothioate
CID 159035221

Frequently Asked Questions

What is the IUPAC name of carbamothioyl chloride;piperidine?
The IUPAC name of carbamothioyl chloride;piperidine (CID 174468321) is carbamothioyl chloride;piperidine.
What is the SMILES notation for carbamothioyl chloride;piperidine?
The canonical SMILES for carbamothioyl chloride;piperidine is C1CCNCC1.NC(=S)Cl.
What is the InChIKey of carbamothioyl chloride;piperidine?
The InChIKey is ULVYZSTUTBQHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.CH2ClNS/c1-2-4-6-5-3-1;2-1(3)4/h6H,1-5H2;(H2,3,4).
What are the key properties of carbamothioyl chloride;piperidine?
carbamothioyl chloride;piperidine has a molecular weight of 180.70 g/mol, XLogP of 1.23, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbamothioyl chloride;piperidine is sourced from PubChem (CID 174468321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).