1-cycloheptyl-1,3-dimethylthiourea

C10H20N2S — CID 115576089

IUPAC1-cycloheptyl-1,3-dimethylthiourea
SMILESCNC(=S)N(C)C1CCCCCC1
InChIInChI=1S/C10H20N2S/c1-11-10(13)12(2)9-7-5-3-4-6-8-9/h9H,3-8H2,1-2H3,(H,11,13)
InChIKeyQJTAZBQTTQKDHK-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.15
Rot. Bonds1

About 1-cycloheptyl-1,3-dimethylthiourea

1-cycloheptyl-1,3-dimethylthiourea (PubChem CID 115576089) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is 1-cycloheptyl-1,3-dimethylthiourea.

Molecular Properties

Compound Name1-cycloheptyl-1,3-dimethylthiourea
PubChem CID115576089
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name1-cycloheptyl-1,3-dimethylthiourea
SMILESCNC(=S)N(C)C1CCCCCC1
InChIInChI=1S/C10H20N2S/c1-11-10(13)12(2)9-7-5-3-4-6-8-9/h9H,3-8H2,1-2H3,(H,11,13)
InChIKeyQJTAZBQTTQKDHK-UHFFFAOYSA-N
XLogP2.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethyl-1-(oxan-4-yl)thiourea
CID 115669238
N-[cyclohexyl(methyl)carbamothioyl]cyclohexanecarboxamide
CID 4778356
3-amino-1-cyclopentyl-1-methylthiourea
CID 19847577
1-cycloheptyl-1-methyl-3-(2-methylpropyl)thiourea
CID 115576097
N-cycloheptyl-N-methylcarbamothioyl chloride
CID 21434274
potassium N-cyclohexyl-N-methylcarbamodithioate
CID 139703213
3-butyl-1-cyclohexyl-1-methylthiourea
CID 43835938
1-cyclobutyl-1,3-dimethylurea
CID 66861755
1-cyclohexyl-3-(4-methoxyphenyl)-1-methylthiourea
CID 7939510
1-cyclobutyl-1,2,3-trimethylguanidine
CID 131097015
1-cyclohexyl-3-(furan-2-ylmethyl)-1-methylthiourea
CID 23883035
1-(2-bicyclo[2.2.2]octanyl)-1,3-dimethylthiourea
CID 130964858

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-1,3-dimethylthiourea?
The IUPAC name of 1-cycloheptyl-1,3-dimethylthiourea (CID 115576089) is 1-cycloheptyl-1,3-dimethylthiourea.
What is the SMILES notation for 1-cycloheptyl-1,3-dimethylthiourea?
The canonical SMILES for 1-cycloheptyl-1,3-dimethylthiourea is CNC(=S)N(C)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-1,3-dimethylthiourea?
The InChIKey is QJTAZBQTTQKDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-11-10(13)12(2)9-7-5-3-4-6-8-9/h9H,3-8H2,1-2H3,(H,11,13).
What are the key properties of 1-cycloheptyl-1,3-dimethylthiourea?
1-cycloheptyl-1,3-dimethylthiourea has a molecular weight of 200.35 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-1,3-dimethylthiourea is sourced from PubChem (CID 115576089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).