N,N-diethyl[(²H?)methylsulfanyl]carbothioamide

N,N-diethyl[(²H?)methylsulfanyl]carbothioamide

CAS: 1246816-30-7

Formula: C6H13NS2

SMILES: [2H]C([2H])([2H])SC(=S)N(CC)CC

IUPAC: N,N-diethyl[(²H?)methylsulfanyl]carbothioamide

InChI: InChI=1S/C6H13NS2/c1-4-7(5-2)6(8)9-3/h4-5H2,1-3H3/i3D3

Composition: C (43.33%), H (6.06%), [2H] (3.63%), N (8.42%), S (38.55%)

Molar Mass: 166.32

Atom Count: 22

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	166.067772008
Formal Charge	0
FSP3	0.83
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
InChIKey	JYRXPFCUABYLPD-HPRDVNIFSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.67
Topological Polar Surface Area	3.24
Polarizability	19.46
Ring Count	0
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<14 Days	1246816-30-7		$130.56-$1,015.92$130.56$1,015.92