1-benzyl-3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)thiourea

1-benzyl-3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)thiourea

CAS: 473243-73-1

Formula: C11H11N3OS3

SMILES: O=C1CSC(=S)N1NC(=S)NCC1=CC=CC=C1

IUPAC: 1-benzyl-3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)thiourea

InChI: InChI=1S/C11H11N3OS3/c15-9-7-18-11(17)14(9)13-10(16)12-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,12,13,16)

Composition: C (44.42%), H (3.73%), N (14.13%), O (5.38%), S (32.34%)

Molar Mass: 297.41

Atom Count: 29

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	297.006425508
Formal Charge	0
FSP3	0.18
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	2
InChIKey	MJVISYWHCXONDJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.57
Topological Polar Surface Area	44.37
Polarizability	32.27
Ring Count	2
Rotatable Bond Count	3

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