1-(thiophen-2-ylmethyl)-1,4-diazepane dihydrochloride

1-(thiophen-2-ylmethyl)-1,4-diazepane dihydrochloride

CAS: 1255717-60-2

Formula: C10H18Cl2N2S

SMILES: Cl.Cl.C(N1CCCNCC1)C1=CC=CS1

IUPAC: 1-[(thiophen-2-yl)methyl]-1,4-diazepane dihydrochloride

InChI: InChI=1S/C10H16N2S.2ClH/c1-3-10(13-8-1)9-12-6-2-4-11-5-7-12;;/h1,3,8,11H,2,4-7,9H2;2*1H

Composition: C (44.61%), H (6.74%), Cl (26.33%), N (10.41%), S (11.91%)

Molar Mass: 269.23

Atom Count: 33

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	268.0567752
Formal Charge	0
FSP3	0.6
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	HNHWLLWGHJSQEC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.11
Topological Polar Surface Area	15.27
Polarizability	22.35
Ring Count	2
Rotatable Bond Count	2

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95%	<4 Days	1255717-60-2		$28.75-$1,189.10$28.75$116.15$234.60$1,189.10