3,6-dimethyl-2-sulfanylidene-1,3-diazinane-4-carboxylic acid

3,6-dimethyl-2-sulfanylidene-1,3-diazinane-4-carboxylic acid

CAS: 1103826-96-5

Formula: C7H12N2O2S

SMILES: CC1CC(N(C)C(=S)N1)C(O)=O

IUPAC: 3,6-dimethyl-2-sulfanylidene-1,3-diazinane-4-carboxylic acid

InChI: InChI=1/C7H12N2O2S/c1-4-3-5(6(10)11)9(2)7(12)8-4/h4-5H,3H2,1-2H3,(H,8,12)(H,10,11)

Composition: C (44.66%), H (6.43%), N (14.88%), O (17.00%), S (17.03%)

Molar Mass: 188.25

Atom Count: 24

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	188.061948808
Formal Charge	0
FSP3	0.71
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	CDAJZCNTWUHNTF-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.97
Topological Polar Surface Area	52.57
Polarizability	19.14
Ring Count	1
Rotatable Bond Count	1

Suppliers

MATRIX SCIENTIFIC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	1103826-96-5		$269.51$269.51