3-(isothiocyanatomethyl)-2,2,5,5-tetramethylpyrrolidin-1-ol

3-(isothiocyanatomethyl)-2,2,5,5-tetramethylpyrrolidin-1-ol

CAS: 78140-52-0

Formula: C10H18N2OS

SMILES: CC1(C)CC(CN=C=S)C(C)(C)N1O

IUPAC: 3-(isothiocyanatomethyl)-2,2,5,5-tetramethylpyrrolidin-1-ol

InChI: InChI=1/C10H18N2OS/c1-9(2)5-8(6-11-7-14)10(3,4)12(9)13/h8,13H,5-6H2,1-4H3

Composition: C (56.04%), H (8.47%), N (13.07%), O (7.46%), S (14.96%)

Molar Mass: 214.33

Atom Count: 32

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	214.113984382
Formal Charge	0
FSP3	0.9
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	AFWDXCSMXGMRHO-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.48
Topological Polar Surface Area	35.83
Polarizability	24.44
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<7 Days	78140-52-0		$1,574.24-$3,526.25$1,574.24$3,526.25