trans-1-(2-Chloroethyl)-3-(2-methyl-m-dithian-5-yl)-1-nitrosourea S,S,S,S-tetraoxide

Modify Date: 2025-09-12 12:51:21

trans-1-(2-Chloroethyl)-3-(2-methyl-m-dithian-5-yl)-1-nitrosourea S,S,S,S-tetraoxide structure	Common Name	trans-1-(2-Chloroethyl)-3-(2-methyl-m-dithian-5-yl)-1-nitrosourea S,S,S,S-tetraoxide
	CAS Number	60285-33-8	Molecular Weight	347.79600
	Density	1.76g/cm3	Boiling Point	N/A
	Molecular Formula	C₈H₁₄ClN₃O₆S₂	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	1-(2-chloroethyl)-3-(2-methyl-1,1,3,3-tetraoxo-1,3-dithian-5-yl)-1-nitrosourea

Density	1.76g/cm3
Molecular Formula	C₈H₁₄ClN₃O₆S₂
Molecular Weight	347.79600
Exact Mass	347.00100
PSA	146.81000
LogP	2.02850
Index of Refraction	1.658
InChIKey	YXUZPTFACYZZBL-UHFFFAOYSA-N
SMILES	CC1S(=O)(=O)CC(NC(=O)N(CCCl)N=O)CS1(=O)=O

CHEMICAL IDENTIFICATION

RTECS NUMBER :: YS5012200

CHEMICAL NAME :: Urea, 1-(2-chloroethyl)-3-(2-methyl-m-dithian-5-yl)-1-nitro so-, S,S,S',S'-tetraoxide, (E)-

CAS REGISTRY NUMBER :: 60285-33-8

LAST UPDATED :: 198609

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C8-H14-Cl-N3-O6-S2

MOLECULAR WEIGHT :: 347.82

WISWESSER LINE NOTATION :: T6SW CSWTJ B1 EMVNNO&2G

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 50010 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NCISP* National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. (Bethesda, MD 20205) Volume(issue)/page/year: JAN1986

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