cyclohexyl-(2-methylidenecyclohexyl)carbamodithioic acid

C14H23NS2 — CID 151798740

IUPACcyclohexyl-(2-methylidenecyclohexyl)carbamodithioic acid
SMILESC=C1CCCCC1N(C(=S)S)C1CCCCC1
InChIInChI=1S/C14H23NS2/c1-11-7-5-6-10-13(11)15(14(16)17)12-8-3-2-4-9-12/h12-13H,1-10H2,(H,16,17)
InChIKeyRYDVZQWPYMGENM-UHFFFAOYSA-N
MW269.48 g/mol
LogP4.33
Rot. Bonds2

About cyclohexyl-(2-methylidenecyclohexyl)carbamodithioic acid

cyclohexyl-(2-methylidenecyclohexyl)carbamodithioic acid (PubChem CID 151798740) has the molecular formula C14H23NS2 and a molecular weight of 269.48 g/mol. Its IUPAC name is cyclohexyl-(2-methylidenecyclohexyl)carbamodithioic acid.

Molecular Properties

Compound Namecyclohexyl-(2-methylidenecyclohexyl)carbamodithioic acid
PubChem CID151798740
Molecular FormulaC14H23NS2
Molecular Weight269.48 g/mol
Exact Mass269.13
IUPAC Namecyclohexyl-(2-methylidenecyclohexyl)carbamodithioic acid
SMILESC=C1CCCCC1N(C(=S)S)C1CCCCC1
InChIInChI=1S/C14H23NS2/c1-11-7-5-6-10-13(11)15(14(16)17)12-8-3-2-4-9-12/h12-13H,1-10H2,(H,16,17)
InChIKeyRYDVZQWPYMGENM-UHFFFAOYSA-N
XLogP4.33
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

[cyclohexyl-(2-methylidenecyclohexyl)amino] formate
CID 151916571
1-N',1-N'-di(cyclobutyl)-1-N,1-N-dicyclohexylethene-1,1-diamine
CID 20530659
1,1,3,3-tetracyclohexylthiourea
CID 12935848
N-[1-[3,5-bis[1-(dicyclohexylamino)ethenyl]phenyl]ethenyl]-N-cyclohexylcyclohexanamine
CID 171722657
bis(N,N-dicyclohexylcarbamodithioate);molybdenum;disulfide
CID 173360149
cyclohexyl-(cyclohexylamino)carbamodithioic acid
CID 87476761
1,1,3,3-tetracyclohexylselenourea
CID 134917279
N,N-dicyclohexylcyclobutanecarboxamide
CID 841777
dicyclohexylazanium;N,N-dicyclohexylcarbamodithioate
CID 159574722
1-cyclopentyl-1-ethylthiourea
CID 43541105
1-iodo-2-methylidenecyclohexane
CID 91466429
2-[cycloheptyl(methyl)amino]cycloheptan-1-one
CID 60863113

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(2-methylidenecyclohexyl)carbamodithioic acid?
The IUPAC name of cyclohexyl-(2-methylidenecyclohexyl)carbamodithioic acid (CID 151798740) is cyclohexyl-(2-methylidenecyclohexyl)carbamodithioic acid.
What is the SMILES notation for cyclohexyl-(2-methylidenecyclohexyl)carbamodithioic acid?
The canonical SMILES for cyclohexyl-(2-methylidenecyclohexyl)carbamodithioic acid is C=C1CCCCC1N(C(=S)S)C1CCCCC1.
What is the InChIKey of cyclohexyl-(2-methylidenecyclohexyl)carbamodithioic acid?
The InChIKey is RYDVZQWPYMGENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS2/c1-11-7-5-6-10-13(11)15(14(16)17)12-8-3-2-4-9-12/h12-13H,1-10H2,(H,16,17).
What are the key properties of cyclohexyl-(2-methylidenecyclohexyl)carbamodithioic acid?
cyclohexyl-(2-methylidenecyclohexyl)carbamodithioic acid has a molecular weight of 269.48 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(2-methylidenecyclohexyl)carbamodithioic acid is sourced from PubChem (CID 151798740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).