({5-[(carbamimidoylsulfanyl)methyl]thiophen-2-yl}methyl)sulfanylmethanimidamide dihydrochloride

({5-[(carbamimidoylsulfanyl)methyl]thiophen-2-yl}methyl)sulfanylmethanimidamide dihydrochloride

CAS: 2076-91-7

Formula: C8H14Cl2N4S3

SMILES: Cl.Cl.NC(=N)SCC1=CC=C(CSC(N)=N)S1

IUPAC: [({5-[(carbamimidoylsulfanyl)methyl]thiophen-2-yl}methyl)sulfanyl]methanimidamide dihydrochloride

InChI: InChI=1S/C8H12N4S3.2ClH/c9-7(10)13-3-5-1-2-6(15-5)4-14-8(11)12;;/h1-2H,3-4H2,(H3,9,10)(H3,11,12);2*1H

Composition: C (28.83%), H (4.23%), Cl (21.27%), N (16.81%), S (28.86%)

Molar Mass: 333.31

Atom Count: 31

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	331.9757654
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	4
InChIKey	DSODRWWHAUGSGD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	90.21
Topological Polar Surface Area	99.74
Polarizability	26.27
Ring Count	1
Rotatable Bond Count	6

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