N-cycloheptyl-N-methylcarbamothioyl chloride

C9H16ClNS — CID 21434274

IUPACN-cycloheptyl-N-methylcarbamothioyl chloride
SMILESCN(C(=S)Cl)C1CCCCCC1
InChIInChI=1S/C9H16ClNS/c1-11(9(10)12)8-6-4-2-3-5-7-8/h8H,2-7H2,1H3
InChIKeyDTUBSYWAPVXYRF-UHFFFAOYSA-N
MW205.75 g/mol
LogP3.16
Rot. Bonds1

About N-cycloheptyl-N-methylcarbamothioyl chloride

N-cycloheptyl-N-methylcarbamothioyl chloride (PubChem CID 21434274) has the molecular formula C9H16ClNS and a molecular weight of 205.75 g/mol. Its IUPAC name is N-cycloheptyl-N-methylcarbamothioyl chloride.

Molecular Properties

Compound NameN-cycloheptyl-N-methylcarbamothioyl chloride
PubChem CID21434274
Molecular FormulaC9H16ClNS
Molecular Weight205.75 g/mol
Exact Mass205.07
IUPAC NameN-cycloheptyl-N-methylcarbamothioyl chloride
SMILESCN(C(=S)Cl)C1CCCCCC1
InChIInChI=1S/C9H16ClNS/c1-11(9(10)12)8-6-4-2-3-5-7-8/h8H,2-7H2,1H3
InChIKeyDTUBSYWAPVXYRF-UHFFFAOYSA-N
XLogP3.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.75
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

potassium N-cyclohexyl-N-methylcarbamodithioate
CID 139703213
1-cycloheptyl-1,3-dimethylthiourea
CID 115576089
3-amino-1-cyclopentyl-1-methylthiourea
CID 19847577
1-cyclooctyl-1-methylurea
CID 126989312
N-[cyclohexyl(methyl)carbamothioyl]cyclohexanecarboxamide
CID 4778356
N-cyclohexyl-N-methyl-2-oxopropanamide
CID 115175558
1-cycloheptyl-1-methyl-3-(2-methylpropyl)thiourea
CID 115576097
N-cyclobutyl-N-methylcyclohexanamine
CID 90984290
3-butyl-1-cyclohexyl-1-methylthiourea
CID 43835938
N-cycloheptyl-2-hydroxy-N-methylacetamide
CID 130678772
1,1,3,3-tetracyclohexylthiourea
CID 12935848
2-chloro-N-cyclohexyl-N-methyl-3-oxobutanamide
CID 139911668

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N-methylcarbamothioyl chloride?
The IUPAC name of N-cycloheptyl-N-methylcarbamothioyl chloride (CID 21434274) is N-cycloheptyl-N-methylcarbamothioyl chloride.
What is the SMILES notation for N-cycloheptyl-N-methylcarbamothioyl chloride?
The canonical SMILES for N-cycloheptyl-N-methylcarbamothioyl chloride is CN(C(=S)Cl)C1CCCCCC1.
What is the InChIKey of N-cycloheptyl-N-methylcarbamothioyl chloride?
The InChIKey is DTUBSYWAPVXYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNS/c1-11(9(10)12)8-6-4-2-3-5-7-8/h8H,2-7H2,1H3.
What are the key properties of N-cycloheptyl-N-methylcarbamothioyl chloride?
N-cycloheptyl-N-methylcarbamothioyl chloride has a molecular weight of 205.75 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N-methylcarbamothioyl chloride is sourced from PubChem (CID 21434274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).