Chemryt - We contribute to the Chemicals, Pharmaceutical & Biotech industry using information technology

1000018 52 9 5-(Ethanesulfonyl)-4-phenyl-1,3-thiazol-2-amine | Chemryt

Chemical : 5-(Ethanesulfonyl)-4-phenyl-1,3-thiazol-2-amine

Casrn : 1000018-52-9

MolName : 5-(Ethanesulfonyl)-4-phenyl-1,3-thiazol-2-amine

MolecularFormula : C11H12N2O2S2

Smiles : CCS(c1c(-c2ccccc2)nc(N)s1)(=O)=O

InChI : InChI=1S/C11H12N2O2S2/c1-2-17(14,15)10-9(13-11(12)16-10)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,12,13)

InChIK : BSQNFSFLIVVYJJ-UHFFFAOYSA-N

CanonicalSyTyLFy : 2016de4172b21b5d

TotalMolweight : 268.36

Molweight : 268.36

MonoisotopicMass : 268.034018

CLogP : 2.0615

CLogS : -3.869

H Acceptors : 4

H Donors : 1

TotalSurfaceArea : 190.84

Relative PSA : 0.39394

PolarSurfaceArea : 109.67

Druglikeness : 1.3179

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Shape Index : 0.52941

Molecula Flexibility : 0.51346

Molecular Complexity : 0.77687

Fragments : 1

Non HAtoms : 17

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 3

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 3

Symmetricatoms : 3

Aromatic Nitrogens : 1

CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
10003-95-9nonenonenoneC10H18N2O17P4562.146-25.989
1000-57-3highnonelowC6H16SSn238.969-7.4261
1000018-25-6nonenonenoneC13H24N2O6S336.408-32.405
100007-40-7nonenonenoneC31H42N4O7582.695-0.42167
100-13-0nonenonelowC8H7NO2149.149-10.212
1000339-29-6nonenonenoneC14H15N2OBr307.19-5.8756
1000339-28-5nonenonenoneC14H8N2OBrCl335.588-0.59356
1000289-40-6nonenonenoneC7H4N2Br2S307.997-2.2608
1000269-66-8nonenonenoneC12H20N4220.3190.5423
1000339-55-8nonenonenoneC9H7O2F3204.147-12.197
1000339-30-9nonenonenoneC8H10N3Cl183.6412.1
1000-46-0nonenonenoneC7H18Ge174.83-4.6976
1000339-36-5nonenonenoneC16H19NO3S305.397-3.4866
100-16-3lowhighnoneC6H7N3O2153.141-9.8627
100021-47-4nonenonenoneC13H17N5O6339.307-2.7249
1000-91-5nonenonehighC5H14OSi118.251-35.679
1000-36-8nonenonenoneC11H25O3P236.29-27.011
100-86-7nonenonenoneC10H14O150.22-2.4187
100-71-0nonenonenoneC7H9N107.155-2.2725
1000-28-8nonenonenoneC6H3OF11300.067-44.343
100-65-2highnonenoneC6H7NO109.128-1.548
1000058-38-7nonenonenoneC11H12N2O2204.228-4.6529
100-02-7nonenonenoneC6H5NO3139.11-7.5665
100032-79-9nonehighnoneC6H6N3O2Br.HCl232.037-11.653
100016-73-7highhighhighC6H5OCl.C10H16O.CH2O152.236-3.7075
10000-20-1nonelowhighC12H32N2Si2260.572-64.51
100021-82-7nonenonenoneH3O4P.C18H38N2O298.513-22.282
100-09-4nonenonenoneC8H8O3152.149-1.597
100-15-2nonehighnoneC7H8N2O2152.153-5.7806
100-05-0nonenonenoneCl.C6H4N3O2150.117-9.1371
100004-79-3nonenonenoneC13H11NO2213.235-1.5864
1000-67-5nonenonehighC4H9O4S.Na153.177-10.412
100-48-1nonenonenoneC6H4N2104.112-6.0498
100033-28-1lownonehighC6H9N7179.186-2.3035
10001-52-2highhighnoneC11H10N6O3S306.3056.7202
1000304-40-4nonenonenoneC11H17NO179.2622.2651
10002-37-6nonenonenoneC9H16N2O168.239-3.8085
10003-67-5nonenonenoneC33H62O6554.849-22.973
1000171-05-0nonenonenoneC27H37O3P440.562-24.592
100004-81-7nonenonenoneC13H11NO3229.234-1.3547
100020-94-8highnonelowC12H17OCl212.719-11.962
1000-78-8highlownoneC11H24N2184.326-10.254
1000279-69-5nonenonenoneC20H19N2O3ClS402.9015.7907
1000-16-4nonenonenoneC13H30NO3P279.359-34.244
100-75-4highhighhighC5H10N2O114.147-0.86877
100010-00-2nonenonenoneC20H23NO5357.405-3.7157
100028-43-1nonenonenoneBr.C21H35N2315.523-2.5218
100003-81-4highhighnoneC8H7N2OClS214.6761.4208
1000269-71-5nonenonehighC12H18N2O2222.287-10.925
100-67-4nonenonenoneK.C6H5O93.1047-2.2548
1000339-31-0nonenonehighC12H16NCl209.7190.65299
1000339-25-2nonenonenoneC14H8N2OBrF319.133-1.9975
1000339-23-0nonenonenoneC6H5N2O2Br217.022-3.3311
100018-96-0highhighnoneC20H39O2I438.428-31.232
1000018-50-7nonenonenoneC13H16N2O4264.28-7.3568
1000068-23-4nonelownoneC14H18NO5B291.11-44.603
1000000-13-4highhighhighC21H28O12472.441-0.17986
100-49-2nonenonenoneC7H14O114.187-9.3679
100031-98-9nonenonehighC12H29O4F3Si4406.696-100.78
100004-95-3nonenonenoneC13H11NO3229.234-1.3547