Responsive image

Common name

2-(dihydroxy-λ3-sulfanyl)-2-methyl-propane

IUPAC name

2-(dihydroxy-λ3-sulfanyl)-2-methyl-propane

SMILES

[S](O)(O)C(C)(C)C

Common name

2-(dihydroxy-λ3-sulfanyl)-2-methyl-propane

IUPAC name

2-(dihydroxy-λ3-sulfanyl)-2-methyl-propane

SMILES

[S](O)(O)C(C)(C)C

INCHI

InChI=1S/C4H11O2S/c1-4(2,3)7(5)6/h5-6H,1-3H3

FORMULA

C4H11O2S

Responsive image

Common name

2-(dihydroxy-λ3-sulfanyl)-2-methyl-propane

IUPAC name

2-(dihydroxy-λ3-sulfanyl)-2-methyl-propane





Molecular weight

123.194

clogP

-1.553

clogS

-0.009

Frequency

0.0003





HBond Acceptor

2

HBond Donor

2

Total Polar
Surface Area

40.46

Number of Rings

0

Rotatable Bond

1

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD00100 Remikiren Responsive image Cardiovascular System; Agents Acting on the Renin-Angiotensin System; Renin-Inhibitors; For the treatment of hypertension and heart failure.
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
3d91_ligand_1_0.mol2 3d91 1 -5.77 C(C)(C)(C)[S](O)O 7
4oba_ligand_1_6.mol2 4oba 1 -5.76 [S](O)(O)C(C)(C)C 7
4oas_ligand_1_7.mol2 4oas 1 -5.74 [S](O)(O)C(C)(C)C 7
4occ_ligand_1_7.mol2 4occ 1 -5.74 C(C)(C)(C)[S](O)O 7
1fmb_ligand_1_1.mol2 1fmb 1 -5.72 [S](O)(O)C(C)(C)C 7
4wt2_ligand_1_8.mol2 4wt2 1 -5.71 C(C)(C)(C)[S](O)O 7
109 , 11