3-[bis(methylsulfanyl)methylidene]pentane-2,4-dione

3-[bis(methylsulfanyl)methylidene]pentane-2,4-dione

CAS: 15908-50-6

Formula: C8H12O2S2

SMILES: CSC(SC)=C(C(C)=O)C(C)=O

IUPAC: 3-[bis(methylsulfanyl)methylidene]pentane-2,4-dione

InChI: InChI=1S/C8H12O2S2/c1-5(9)7(6(2)10)8(11-3)12-4/h1-4H3

Composition: C (47.03%), H (5.92%), O (15.66%), S (31.38%)

Molar Mass: 204.3

Atom Count: 24

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	204.027871974
Formal Charge	0
FSP3	0.5
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	XWXZIOSTOJKWSB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.28
Topological Polar Surface Area	34.14
Polarizability	21.54
Ring Count	0
Rotatable Bond Count	4

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