1-(bromomethyl)-4-isothiocyanatobenzene

1-(bromomethyl)-4-isothiocyanatobenzene

CAS: 155863-32-4

Formula: C8H6BrNS

SMILES: BrCC1=CC=C(C=C1)N=C=S

IUPAC: 1-(bromomethyl)-4-isothiocyanatobenzene

InChI: InChI=1S/C8H6BrNS/c9-5-7-1-3-8(4-2-7)10-6-11/h1-4H,5H2

Composition: C (42.12%), H (2.65%), Br (35.03%), N (6.14%), S (14.05%)

Molar Mass: 228.11

Atom Count: 17

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	226.940433
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	NSQGUALFBVTBHL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.97
Topological Polar Surface Area	12.36
Polarizability	20.49
Ring Count	1
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	CAS		UnitPrice
98%	<10 Days	155863-32-4		Quote Only

Glentham Life Sciences

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<7 Days	155863-32-4		$119.34-$245.82$119.34$245.82

AA BLOCKS INC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
%	<6 Days	155863-32-4		$164.45-$276.00$164.45$276.00