1,3,5-tris(tert-butylsulfanyl)benzene

1,3,5-tris(tert-butylsulfanyl)benzene

CAS: 260968-03-4

Formula: C18H30S3

SMILES: CC(C)(C)SC1=CC(SC(C)(C)C)=CC(SC(C)(C)C)=C1

IUPAC: 1,3,5-tris(tert-butylsulfanyl)benzene

InChI: InChI=1S/C18H30S3/c1-16(2,3)19-13-10-14(20-17(4,5)6)12-15(11-13)21-18(7,8)9/h10-12H,1-9H3

Composition: C (63.10%), H (8.83%), S (28.07%)

Molar Mass: 342.62

Atom Count: 51

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	342.150964488
Formal Charge	0
FSP3	0.67
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
InChIKey	ZIHOGUOAVUUMKB-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	106.19
Topological Polar Surface Area	0
Polarizability	41.62
Ring Count	1
Rotatable Bond Count	6

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