N''-cyano-N-methyl-N'-(2-{[(5-methyl-3H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine

N''-cyano-N-methyl-N'-(2-{[(5-methyl-3H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine

CAS: 51481-61-9

Formula: C10H16N6S

SMILES: CNC(NCCSCC1=C(C)N=CN1)=NC#N

IUPAC: N''-cyano-N-methyl-N'-(2-{[(4-methyl-1H-imidazol-5-yl)methyl]sulfanyl}ethyl)guanidine

InChI: InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)

Composition: C (47.60%), H (6.39%), N (33.31%), S (12.71%)

Molar Mass: 252.34

Atom Count: 33

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	252.115715713
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	AQIXAKUUQRKLND-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	70.21
Topological Polar Surface Area	88.89
Polarizability	25.89
Ring Count	1
Rotatable Bond Count	5

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