N-cyclohexyl-4-hydroxybenzenecarbothioamide

C13H17NOS — CID 1297275

IUPACN-cyclohexyl-4-hydroxybenzenecarbothioamide
SMILESOc1ccc(C(=S)NC2CCCCC2)cc1
InChIInChI=1S/C13H17NOS/c15-12-8-6-10(7-9-12)13(16)14-11-4-2-1-3-5-11/h6-9,11,15H,1-5H2,(H,14,16)
InChIKeyZLXBKFCPGOQCFS-UHFFFAOYSA-N
MW235.35 g/mol
LogP2.99
Rot. Bonds2

About N-cyclohexyl-4-hydroxybenzenecarbothioamide

N-cyclohexyl-4-hydroxybenzenecarbothioamide (PubChem CID 1297275) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is N-cyclohexyl-4-hydroxybenzenecarbothioamide.

Molecular Properties

Compound NameN-cyclohexyl-4-hydroxybenzenecarbothioamide
PubChem CID1297275
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC NameN-cyclohexyl-4-hydroxybenzenecarbothioamide
SMILESOc1ccc(C(=S)NC2CCCCC2)cc1
InChIInChI=1S/C13H17NOS/c15-12-8-6-10(7-9-12)13(16)14-11-4-2-1-3-5-11/h6-9,11,15H,1-5H2,(H,14,16)
InChIKeyZLXBKFCPGOQCFS-UHFFFAOYSA-N
XLogP2.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexylpyridine-4-carbothioamide
CID 121009583
N-cyclopropyl-4-propan-2-ylbenzenecarbothioamide
CID 121340219
[2-(cyclooctylamino)-2-oxoethyl] 4-hydroxybenzoate
CID 2432953
N-cyclohexyl-3-phenylmethoxybenzenecarbothioamide
CID 2236040
1-cycloheptyl-2-cyclopentyl-3-(4-hydroxyphenyl)guanidine
CID 134121747
N-cyclohexyl-2-hydroxy-3-methoxybenzenecarbothioamide
CID 135715510
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate
CID 7133587
N-(cyclohexylcarbamothioyl)-4-methylbenzamide
CID 923682
N-cyclododecyl-N'-(4-hydroxyphenyl)-N'-methyloxamide
CID 108517414
2-amino-N-cycloheptyl-3-(4-hydroxyphenyl)propanamide
CID 76892756
(2S)-2-amino-N-cyclohexyl-3-(4-hydroxyphenyl)propanamide
CID 61148836
N-cyclohexyl-2-(4-hydroxyphenyl)sulfanylpropanamide
CID 47262934

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-hydroxybenzenecarbothioamide?
The IUPAC name of N-cyclohexyl-4-hydroxybenzenecarbothioamide (CID 1297275) is N-cyclohexyl-4-hydroxybenzenecarbothioamide.
What is the SMILES notation for N-cyclohexyl-4-hydroxybenzenecarbothioamide?
The canonical SMILES for N-cyclohexyl-4-hydroxybenzenecarbothioamide is Oc1ccc(C(=S)NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-4-hydroxybenzenecarbothioamide?
The InChIKey is ZLXBKFCPGOQCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c15-12-8-6-10(7-9-12)13(16)14-11-4-2-1-3-5-11/h6-9,11,15H,1-5H2,(H,14,16).
What are the key properties of N-cyclohexyl-4-hydroxybenzenecarbothioamide?
N-cyclohexyl-4-hydroxybenzenecarbothioamide has a molecular weight of 235.35 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-hydroxybenzenecarbothioamide is sourced from PubChem (CID 1297275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).