AG007MN6

13395-35-2 | 5-[(3aS,4S,6aR)-2-imino-hexahydro-1H-thieno[3,4-d]imidazolidin-4-yl]pentanoic acid

AG007MN6

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CAS Number	13395-35-2
Catalog Number	AG007MN6(AGN-PC-0PK6LD)
Chemical Name	5-[(3aS,4S,6aR)-2-imino-hexahydro-1H-thieno[3,4-d]imidazolidin-4-yl]pentanoic acid
IUPAC Name	5-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid
InChI	InChI=1S/C10H17N3O2S/c11-10-12-6-5-16-7(9(6)13-10)3-1-2-4-8(14)15/h6-7,9H,1-5H2,(H,14,15)(H3,11,12,13)/t6-,7-,9-/m0/s1
InChI Key	WWVANQJRLPIHNS-ZKWXMUAHSA-N
MDL Number	MFCD00066150
Molecular Formula	C10H17N3O2S
Molecular Weight	243.3259
SMILES	O=C(O)CCCC[C@@H]1SC[C@@]2([H])[C@]1([H])NC(N)=N2
UNII	HXH71NRQ5C
Synonyms	2-iminobiotin, 2-iminobiotin monohydrobromide, (3aS-(3aalpha,4beta,6aalpha))-isomer, 2-iminobiotin, 13395-35-2, Guanidinobiotin, UNII-HXH71NRQ5C, HXH71NRQ5C, 1H-Thieno[3,4-d]imidazole-6-pentanoicacid, 2-amino-3a,4,6,6a-tetrahydro-, (3aR,6S,6aS)-, 5-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid, Hexahydro-2-imino-1H-thieno[3,4-d]imidazole-4-pentanoic acid, 2izl, AC1Q5VZR, AC1L2UM5, SCHEMBL4113327, CHEMBL1233598, CTK0I1164, CTK8D4633, KS-00000XST, DTXSID20158431, 2-Iminobiotin, >=98% (TLC), MFCD00066150, ZINC12503488, AKOS015854970, AKOS030632178, RTR-004598, SB17521, NCGC00346835-01, BP-20532, TR-004598, (3aR,6S,6aS)-2-Amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazole-6-pentanoic acid, (3aS,6aR)-2-Iminohexahydro-1H-thieno[3,4-d]imidazole-4alpha-pentanoic acid, 5-[(2Z,3aS,4S,6aR)-2-iminohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid, 1H-Thieno(3,4-d)imidazole-4-pentanoic acid, 2-amino-3a,4,6,6a-tetrahydro-, (3aS-(3aalpha,4beta,6aalpha))-, iminobiotin, AR-1G6537, CID128878, N-FLUORO-5-(TRIFLUOROMETHYL)PYRIDINIUM-2-SULFONATE, 147541-08-0, 13486-43-6, IMI, 5-((3aR,6S,6aS)-2-Amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl)pentanoic acid,

Complexity	308
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	243.104g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	243.325g/mol
Monoisotopic Mass	243.104g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	113A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
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Certificate of Analysis

Lot Number