2-isothiocyanato-2,4,4-trimethylpentane

2-isothiocyanato-2,4,4-trimethylpentane

CAS: 17701-76-7

Formula: C9H17NS

SMILES: CC(C)(C)CC(C)(C)N=C=S

IUPAC: 2-isothiocyanato-2,4,4-trimethylpentane

InChI: InChI=1S/C9H17NS/c1-8(2,3)6-9(4,5)10-7-11/h6H2,1-5H3

Composition: C (63.10%), H (10.00%), N (8.18%), S (18.72%)

Molar Mass: 171.3

Atom Count: 28

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	171.108170725
Formal Charge	0
FSP3	0.89
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	KUGHMFIBHMZICO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.28
Topological Polar Surface Area	12.36
Polarizability	21.22
Ring Count	0
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	17701-76-7		$193.55-$225.63$193.55$225.63