dimethylcarbamothioyl N,N-dimethylcarbamodithioate;1-phenylcyclohexan-1-ol

C18H28N2OS3 — CID 174917912

IUPACdimethylcarbamothioyl N,N-dimethylcarbamodithioate;1-phenylcyclohexan-1-ol
SMILESCN(C)C(=S)SC(=S)N(C)C.OC1(c2ccccc2)CCCCC1
InChIInChI=1S/C12H16O.C6H12N2S3/c13-12(9-5-2-6-10-12)11-7-3-1-4-8-11;1-7(2)5(9)11-6(10)8(3)4/h1,3-4,7-8,13H,2,5-6,9-10H2;1-4H3
InChIKeyZZAWWJLPHAWIOU-UHFFFAOYSA-N
MW384.64 g/mol
LogP4.25
Rot. Bonds1

About dimethylcarbamothioyl N,N-dimethylcarbamodithioate;1-phenylcyclohexan-1-ol

dimethylcarbamothioyl N,N-dimethylcarbamodithioate;1-phenylcyclohexan-1-ol (PubChem CID 174917912) has the molecular formula C18H28N2OS3 and a molecular weight of 384.64 g/mol. Its IUPAC name is dimethylcarbamothioyl N,N-dimethylcarbamodithioate;1-phenylcyclohexan-1-ol.

Molecular Properties

Compound Namedimethylcarbamothioyl N,N-dimethylcarbamodithioate;1-phenylcyclohexan-1-ol
PubChem CID174917912
Molecular FormulaC18H28N2OS3
Molecular Weight384.64 g/mol
Exact Mass384.14
IUPAC Namedimethylcarbamothioyl N,N-dimethylcarbamodithioate;1-phenylcyclohexan-1-ol
SMILESCN(C)C(=S)SC(=S)N(C)C.OC1(c2ccccc2)CCCCC1
InChIInChI=1S/C12H16O.C6H12N2S3/c13-12(9-5-2-6-10-12)11-7-3-1-4-8-11;1-7(2)5(9)11-6(10)8(3)4/h1,3-4,7-8,13H,2,5-6,9-10H2;1-4H3
InChIKeyZZAWWJLPHAWIOU-UHFFFAOYSA-N
XLogP4.25
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.64
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 144640846
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CID 174727157
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CID 175547532
acetic acid;guanidine;1-phenylcyclohexan-1-ol
CID 174473231
1-(3-methylsulfanylphenyl)cyclopentan-1-ol
CID 170997592
2-(dimethylamino)-2-methyl-1-phenylcyclohexan-1-ol
CID 66606780
trans-(1R,2R)-1,2-diphenylcyclohexane-1,2-diol
CID 15915235
4-ethyl-1-phenylcycloheptan-1-ol
CID 65085687
ethane;methanol;(1-phenylcyclohexyl)benzene
CID 91580542
ethane;4-hydroxy-4-phenylcyclohexan-1-one
CID 91155635
8-phenyl-5-azoniaspiro[4.5]decan-8-ol
CID 15837498
1-(3-phenylphenyl)cyclobutan-1-ol
CID 174781910

Frequently Asked Questions

What is the IUPAC name of dimethylcarbamothioyl N,N-dimethylcarbamodithioate;1-phenylcyclohexan-1-ol?
The IUPAC name of dimethylcarbamothioyl N,N-dimethylcarbamodithioate;1-phenylcyclohexan-1-ol (CID 174917912) is dimethylcarbamothioyl N,N-dimethylcarbamodithioate;1-phenylcyclohexan-1-ol.
What is the SMILES notation for dimethylcarbamothioyl N,N-dimethylcarbamodithioate;1-phenylcyclohexan-1-ol?
The canonical SMILES for dimethylcarbamothioyl N,N-dimethylcarbamodithioate;1-phenylcyclohexan-1-ol is CN(C)C(=S)SC(=S)N(C)C.OC1(c2ccccc2)CCCCC1.
What is the InChIKey of dimethylcarbamothioyl N,N-dimethylcarbamodithioate;1-phenylcyclohexan-1-ol?
The InChIKey is ZZAWWJLPHAWIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O.C6H12N2S3/c13-12(9-5-2-6-10-12)11-7-3-1-4-8-11;1-7(2)5(9)11-6(10)8(3)4/h1,3-4,7-8,13H,2,5-6,9-10H2;1-4H3.
What are the key properties of dimethylcarbamothioyl N,N-dimethylcarbamodithioate;1-phenylcyclohexan-1-ol?
dimethylcarbamothioyl N,N-dimethylcarbamodithioate;1-phenylcyclohexan-1-ol has a molecular weight of 384.64 g/mol, XLogP of 4.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylcarbamothioyl N,N-dimethylcarbamodithioate;1-phenylcyclohexan-1-ol is sourced from PubChem (CID 174917912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).