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2,4-dihydroxy-5-isopropylbenzenecarbodithioic acid

2,4-dihydroxy-5-isopropylbenzenecarbodithioic acid

CAS: 1046490-81-6

Formula: C10H12O2S2

SMILES: CC(C)C1=C(O)C=C(O)C(=C1)C(S)=S

IUPAC: 2,4-dihydroxy-5-(propan-2-yl)benzene-1-carbodithioic acid

InChI: InChI=1S/C10H12O2S2/c1-5(2)6-3-7(10(13)14)9(12)4-8(6)11/h3-5,11-12H,1-2H3,(H,13,14)

Composition: C (52.61%), H (5.30%), O (14.01%), S (28.08%)

Molar Mass: 228.32

Atom Count: 26

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 228.027871974
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 3
InChIKey HWRNABBONOFDIQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.87
Topological Polar Surface Area 40.46
Polarizability 25.34
Ring Count 1
Rotatable Bond Count 2

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